N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-methylsulfanylbenzamide

C17H12F2N2OS2 — CID 16910435

IUPACN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-methylsulfanylbenzamide
SMILESCSc1cccc(C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)c1
InChIInChI=1S/C17H12F2N2OS2/c1-23-12-4-2-3-11(7-12)16(22)21-17-20-15(9-24-17)10-5-6-13(18)14(19)8-10/h2-9H,1H3,(H,20,21,22)
InChIKeyWJLBUXHFQNELMV-UHFFFAOYSA-N
MW362.43 g/mol
LogP5.06
Rot. Bonds4

About N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-methylsulfanylbenzamide

N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-methylsulfanylbenzamide (PubChem CID 16910435) has the molecular formula C17H12F2N2OS2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-methylsulfanylbenzamide
PubChem CID16910435
Molecular FormulaC17H12F2N2OS2
Molecular Weight362.43 g/mol
Exact Mass362.04
IUPAC NameN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-methylsulfanylbenzamide
SMILESCSc1cccc(C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)c1
InChIInChI=1S/C17H12F2N2OS2/c1-23-12-4-2-3-11(7-12)16(22)21-17-20-15(9-24-17)10-5-6-13(18)14(19)8-10/h2-9H,1H3,(H,20,21,22)
InChIKeyWJLBUXHFQNELMV-UHFFFAOYSA-N
XLogP5.06
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.43
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-methylsulfanylbenzamide 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]-3,4-dimethylbenzamide
CID 16820840
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]-3,4-dimethoxybenzamide
CID 7742220
N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-3,4-difluorobenzamide
CID 28861611
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide
CID 2102582
3,4-difluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 30435747
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 46643796
3-ethylsulfanyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide
CID 41028556
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-4-ethylsulfonylbenzamide
CID 16820846
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-iodobenzamide
CID 16910414
3-(cyclopentylsulfamoyl)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 39299392
5-bromo-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 3998198

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-methylsulfanylbenzamide?
The IUPAC name of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-methylsulfanylbenzamide (CID 16910435) is N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-methylsulfanylbenzamide.
What is the SMILES notation for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-methylsulfanylbenzamide?
The canonical SMILES for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-methylsulfanylbenzamide is CSc1cccc(C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)c1.
What is the InChIKey of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-methylsulfanylbenzamide?
The InChIKey is WJLBUXHFQNELMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N2OS2/c1-23-12-4-2-3-11(7-12)16(22)21-17-20-15(9-24-17)10-5-6-13(18)14(19)8-10/h2-9H,1H3,(H,20,21,22).
What are the key properties of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-methylsulfanylbenzamide?
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-methylsulfanylbenzamide has a molecular weight of 362.43 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-methylsulfanylbenzamide is sourced from PubChem (CID 16910435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).