2-chloro-4-fluoro-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]benzamide

C18H14ClFN2OS — CID 90546485

IUPAC2-chloro-4-fluoro-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]benzamide
SMILESCc1nc(-c2ccccc2)sc1CNC(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C18H14ClFN2OS/c1-11-16(24-18(22-11)12-5-3-2-4-6-12)10-21-17(23)14-8-7-13(20)9-15(14)19/h2-9H,10H2,1H3,(H,21,23)
InChIKeyYQOSDIVLWDUJIA-UHFFFAOYSA-N
MW360.84 g/mol
LogP4.84
Rot. Bonds4

About 2-chloro-4-fluoro-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]benzamide

2-chloro-4-fluoro-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]benzamide (PubChem CID 90546485) has the molecular formula C18H14ClFN2OS and a molecular weight of 360.84 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]benzamide
PubChem CID90546485
Molecular FormulaC18H14ClFN2OS
Molecular Weight360.84 g/mol
Exact Mass360.05
IUPAC Name2-chloro-4-fluoro-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]benzamide
SMILESCc1nc(-c2ccccc2)sc1CNC(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C18H14ClFN2OS/c1-11-16(24-18(22-11)12-5-3-2-4-6-12)10-21-17(23)14-8-7-13(20)9-15(14)19/h2-9H,10H2,1H3,(H,21,23)
InChIKeyYQOSDIVLWDUJIA-UHFFFAOYSA-N
XLogP4.84
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-fluorobenzamide
CID 121122762
2-(4-fluorophenyl)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide
CID 90546282
N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]pyridine-4-carboxamide
CID 67080034
2,4-dimethyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-1,3-thiazole-5-carboxamide
CID 90546337
2,5-dichloro-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]benzamide
CID 121122024
1-(2,4-dichlorophenyl)-3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]urea
CID 90546628
5-methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-1-phenylpyrazole-4-carboxamide
CID 90546458
2-(methylamino)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide;hydrochloride
CID 119772200
N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]quinoxaline-6-carboxamide
CID 90546538
3-(2-chlorophenyl)-5-methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-1,2-oxazole-4-carboxamide
CID 90546480
2-fluoro-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide
CID 7503026
(2S)-2-amino-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]propanamide
CID 119316963

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]benzamide?
The IUPAC name of 2-chloro-4-fluoro-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]benzamide (CID 90546485) is 2-chloro-4-fluoro-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]benzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]benzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]benzamide is Cc1nc(-c2ccccc2)sc1CNC(=O)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-4-fluoro-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]benzamide?
The InChIKey is YQOSDIVLWDUJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2OS/c1-11-16(24-18(22-11)12-5-3-2-4-6-12)10-21-17(23)14-8-7-13(20)9-15(14)19/h2-9H,10H2,1H3,(H,21,23).
What are the key properties of 2-chloro-4-fluoro-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]benzamide?
2-chloro-4-fluoro-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]benzamide has a molecular weight of 360.84 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]benzamide is sourced from PubChem (CID 90546485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).