N-(2-fluorophenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide

C17H13FN2OS — CID 893017

IUPACN-(2-fluorophenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide
SMILESCc1nc(-c2ccc(C(=O)Nc3ccccc3F)cc2)cs1
InChIInChI=1S/C17H13FN2OS/c1-11-19-16(10-22-11)12-6-8-13(9-7-12)17(21)20-15-5-3-2-4-14(15)18/h2-10H,1H3,(H,20,21)
InChIKeyZMKIOGXWSZVEDE-UHFFFAOYSA-N
MW312.37 g/mol
LogP4.51
Rot. Bonds3

About N-(2-fluorophenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide

N-(2-fluorophenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide (PubChem CID 893017) has the molecular formula C17H13FN2OS and a molecular weight of 312.37 g/mol. Its IUPAC name is N-(2-fluorophenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide
PubChem CID893017
Molecular FormulaC17H13FN2OS
Molecular Weight312.37 g/mol
Exact Mass312.07
IUPAC NameN-(2-fluorophenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide
SMILESCc1nc(-c2ccc(C(=O)Nc3ccccc3F)cc2)cs1
InChIInChI=1S/C17H13FN2OS/c1-11-19-16(10-22-11)12-6-8-13(9-7-12)17(21)20-15-5-3-2-4-14(15)18/h2-10H,1H3,(H,20,21)
InChIKeyZMKIOGXWSZVEDE-UHFFFAOYSA-N
XLogP4.51
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(4-Amino-phenyl)-thiazol-4-yl]-1H-quinolin-2-one
CID 10149743
4-(2-methylthiazol-4-yl)-N-(3,3,3-trifluoropropyl)benzamide
CID 73504380
2-fluoro-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 7119106
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 16032033
N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]thiophene-2-carboxamide
CID 3574419
3-(2-Phenyl-1,3-thiazol-4-yl)-1,2-dihydroquinolin-2-one
CID 22638512
N-(3-fluoro-4-methylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 2548953
N-{2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl}thiophene-2-carboxamide
CID 7207745
N-(2-ethylphenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 1331233
2-(1,3-benzothiazol-2-yl)-N-tert-butylbenzamide
CID 2078423
N-(4-(2-methylthiazol-4-yl)phenyl)-2-phenylacetamide
CID 2110572
N-(3-fluorophenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 2986205

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide?
The IUPAC name of N-(2-fluorophenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide (CID 893017) is N-(2-fluorophenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide.
What is the SMILES notation for N-(2-fluorophenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide?
The canonical SMILES for N-(2-fluorophenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide is Cc1nc(-c2ccc(C(=O)Nc3ccccc3F)cc2)cs1.
What is the InChIKey of N-(2-fluorophenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide?
The InChIKey is ZMKIOGXWSZVEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2OS/c1-11-19-16(10-22-11)12-6-8-13(9-7-12)17(21)20-15-5-3-2-4-14(15)18/h2-10H,1H3,(H,20,21).
What are the key properties of N-(2-fluorophenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide?
N-(2-fluorophenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide has a molecular weight of 312.37 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide is sourced from PubChem (CID 893017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).