CC(C)(C)OC(=O)NC1=C(N=C(S1)C2=CC(=CN=C2)F)I
الاسم: tert-butyl N-[2-(5-fluoro-3-pyridinyl)-4-iodo-1,3-thiazol-5-yl]carbamate
SMILES: CC(C)(C)OC(=O)NC1=C(N=C(S1)C2=CC(=CN=C2)F)I

Molecular Processing

Molecular formula
C13H13FIN3O2S
Molecular weight
421.23
Exact mass
420.9757
XLogP
4.3
TPSA
64.11
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
21
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
87.88

Supplementary Information

InChIKey: VQOHHIPKSLROMP-UHFFFAOYSA-N
مرادفات
SCHEMBL289332VQOHHIPKSLROMP-UHFFFAOYSA-Ntert-butyl 2-(5-fluoropyridin-3-yl)-4-iodothiazol-5-ylcarbamate
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