CC(C)(C)OC(=O)N(C)C1=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]-N-methylcarbamate
SMILES: CC(C)(C)OC(=O)N(C)C1=C(N=C(S1)C2=CC(=CN=C2)F)I

Molecular Processing

Molecular formula
C14H15FIN3O2S
Molecular weight
435.26
Exact mass
434.9914
XLogP
4.32
TPSA
55.32
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
22
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
0.357
Molar refractivity
92.66

Supplementary Information

InChIKey: MBUIJLXAZIOMTN-UHFFFAOYSA-N
مرادفات
SCHEMBL290811MBUIJLXAZIOMTN-UHFFFAOYSA-Ntert-butyl 2-(5-fluoropyridin-3-yl)-4-iodothiazol-5-yl(methyl)carbamate
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