2-fluoro-N-[5-(2-methylphenyl)-1,3-thiazol-2-yl]benzamide

C17H13FN2OS — CID 123487354

IUPAC2-fluoro-N-[5-(2-methylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCc1ccccc1-c1cnc(NC(=O)c2ccccc2F)s1
InChIInChI=1S/C17H13FN2OS/c1-11-6-2-3-7-12(11)15-10-19-17(22-15)20-16(21)13-8-4-5-9-14(13)18/h2-10H,1H3,(H,19,20,21)
InChIKeyWGMONDXVJITDOT-UHFFFAOYSA-N
MW312.37 g/mol
LogP4.51
Rot. Bonds3

About 2-fluoro-N-[5-(2-methylphenyl)-1,3-thiazol-2-yl]benzamide

2-fluoro-N-[5-(2-methylphenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 123487354) has the molecular formula C17H13FN2OS and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-fluoro-N-[5-(2-methylphenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[5-(2-methylphenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID123487354
Molecular FormulaC17H13FN2OS
Molecular Weight312.37 g/mol
Exact Mass312.07
IUPAC Name2-fluoro-N-[5-(2-methylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCc1ccccc1-c1cnc(NC(=O)c2ccccc2F)s1
InChIInChI=1S/C17H13FN2OS/c1-11-6-2-3-7-12(11)15-10-19-17(22-15)20-16(21)13-8-4-5-9-14(13)18/h2-10H,1H3,(H,19,20,21)
InChIKeyWGMONDXVJITDOT-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

N-(5-bromo-1,3-thiazol-2-yl)-2-fluorobenzamide
CID 60654750
2-fluoro-N-(5-nitroso-1,3-thiazol-2-yl)benzamide
CID 167361656
N-[5-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 569504
1-(2-hydroxy-2-methylpropyl)-1-methyl-3-[5-(2-methylphenyl)-1,3-thiazol-2-yl]urea
CID 111926763
(E)-N-[5-(2-methylphenyl)-1,3-thiazol-2-yl]-3-pyridin-4-ylprop-2-enamide
CID 166223349
N-(2,6-dimethylphenyl)-2-fluorobenzamide
CID 4097270
2-fluoro-N-(2-fluoro-6-methylphenyl)benzamide
CID 115909344
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-fluorobenzamide
CID 735318
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-fluorobenzamide
CID 7193033
N-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-fluorobenzamide
CID 82176376
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-fluorobenzamide
CID 813916
2-fluoro-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 79770175

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[5-(2-methylphenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 2-fluoro-N-[5-(2-methylphenyl)-1,3-thiazol-2-yl]benzamide (CID 123487354) is 2-fluoro-N-[5-(2-methylphenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[5-(2-methylphenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[5-(2-methylphenyl)-1,3-thiazol-2-yl]benzamide is Cc1ccccc1-c1cnc(NC(=O)c2ccccc2F)s1.
What is the InChIKey of 2-fluoro-N-[5-(2-methylphenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is WGMONDXVJITDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2OS/c1-11-6-2-3-7-12(11)15-10-19-17(22-15)20-16(21)13-8-4-5-9-14(13)18/h2-10H,1H3,(H,19,20,21).
What are the key properties of 2-fluoro-N-[5-(2-methylphenyl)-1,3-thiazol-2-yl]benzamide?
2-fluoro-N-[5-(2-methylphenyl)-1,3-thiazol-2-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 2-fluoro-N-[5-(2-methylphenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 123487354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).