CC(C)(C)OC(=O)NC1=C(N=C(S1)C2=C(C=CC=C2F)F)C(=O)O
CAS: 1270034-25-7
Name: 2-(2,6-difluorophenyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-4-carboxylic acid
SMILES: CC(C)(C)OC(=O)NC1=C(N=C(S1)C2=C(C=CC=C2F)F)C(=O)O

Molecular Processing

Molecular formula
C15H14F2N2O4S
Molecular weight
356.35
Exact mass
356.0642
XLogP
4.13
TPSA
88.52
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
24
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.267
Molar refractivity
84.28

Supplementary Information

InChIKey: UOTJJWYWCUMQPY-UHFFFAOYSA-N
Synonyme
1270034-25-75-(tert-butoxycarbonylamino)-2-(2,6-difluorophenyl)thiazole-4-carboxylic acid5-((tert-butoxycarbonyl)amino)-2-(2,6-difluorophenyl)thiazole-4-carboxylic acid5-(tert-butoxycarbonylamino)-2-(2,6-difluorophenyl)-thiazole-4-carboxylic acid2-(2,6-difluorophenyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-4-carboxylic acid4-Thiazolecarboxylic acid, 2-(2,6-difluorophenyl)-5-[[(1,1-dimethylethoxy)carbonyl]amino]-5-[(tert-Butoxycarbonyl)amino]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxylic acidUOTJJWYWCUMQPY-UHFFFAOYSA-NSCHEMBL2522933DTXSID30737271AKOS0254048735-((tert-butoxycarbonyl)amino)-2-(2,6-difluorophenyl)thiazole-4-carboxylicacid5-(tert-butoxycarbonyl-amino)-2-(2,6-difluorophenyl)thiazole-4-carboxylic acid5-(tert-butoxycarbonylamino)-2-(2,6-bisfluorophenyl)thiazole-4-carboxylic acid
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