5-chloro-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-fluorobenzamide

C16H8ClF3N2OS — CID 26694315

IUPAC5-chloro-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-fluorobenzamide
SMILESO=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1cc(Cl)ccc1F
InChIInChI=1S/C16H8ClF3N2OS/c17-9-2-4-11(18)10(6-9)15(23)22-16-21-14(7-24-16)8-1-3-12(19)13(20)5-8/h1-7H,(H,21,22,23)
InChIKeyJYXWDXPCCFYLBB-UHFFFAOYSA-N
MW368.77 g/mol
LogP5.13
Rot. Bonds3

About 5-chloro-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-fluorobenzamide

5-chloro-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-fluorobenzamide (PubChem CID 26694315) has the molecular formula C16H8ClF3N2OS and a molecular weight of 368.77 g/mol. Its IUPAC name is 5-chloro-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-fluorobenzamide.

Molecular Properties

Compound Name5-chloro-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-fluorobenzamide
PubChem CID26694315
Molecular FormulaC16H8ClF3N2OS
Molecular Weight368.77 g/mol
Exact Mass368.00
IUPAC Name5-chloro-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-fluorobenzamide
SMILESO=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1cc(Cl)ccc1F
InChIInChI=1S/C16H8ClF3N2OS/c17-9-2-4-11(18)10(6-9)15(23)22-16-21-14(7-24-16)8-1-3-12(19)13(20)5-8/h1-7H,(H,21,22,23)
InChIKeyJYXWDXPCCFYLBB-UHFFFAOYSA-N
XLogP5.13
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.77
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-chloro-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide
CID 62045979
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-iodobenzamide
CID 16910414
N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-2-fluorobenzamide
CID 47072656
3,6-dichloro-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 26176305
2,5-difluoro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 46667765
2,4-dichloro-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 55382203
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-nitrobenzamide
CID 8801401
4-tert-butyl-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 4034255
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide
CID 2102582
1-(4-chlorophenyl)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 46827946
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-methylthiophene-2-carboxamide
CID 8801425
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3,4-dimethylbenzamide
CID 16820840

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-fluorobenzamide?
The IUPAC name of 5-chloro-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-fluorobenzamide (CID 26694315) is 5-chloro-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-fluorobenzamide.
What is the SMILES notation for 5-chloro-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-fluorobenzamide?
The canonical SMILES for 5-chloro-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-fluorobenzamide is O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1cc(Cl)ccc1F.
What is the InChIKey of 5-chloro-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-fluorobenzamide?
The InChIKey is JYXWDXPCCFYLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8ClF3N2OS/c17-9-2-4-11(18)10(6-9)15(23)22-16-21-14(7-24-16)8-1-3-12(19)13(20)5-8/h1-7H,(H,21,22,23).
What are the key properties of 5-chloro-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-fluorobenzamide?
5-chloro-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-fluorobenzamide has a molecular weight of 368.77 g/mol, XLogP of 5.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-fluorobenzamide is sourced from PubChem (CID 26694315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).