N-(3-chloro-2-fluorophenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide

C17H12ClFN2OS2 — CID 30599996

IUPACN-(3-chloro-2-fluorophenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
SMILESO=C(Nc1cccc(Cl)c1F)c1ccc(SCc2cscn2)cc1
InChIInChI=1S/C17H12ClFN2OS2/c18-14-2-1-3-15(16(14)19)21-17(22)11-4-6-13(7-5-11)24-9-12-8-23-10-20-12/h1-8,10H,9H2,(H,21,22)
InChIKeyJOVHBUNHQXQJBB-UHFFFAOYSA-N
MW378.88 g/mol
LogP5.48
Rot. Bonds5

About N-(3-chloro-2-fluorophenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide

N-(3-chloro-2-fluorophenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide (PubChem CID 30599996) has the molecular formula C17H12ClFN2OS2 and a molecular weight of 378.88 g/mol. Its IUPAC name is N-(3-chloro-2-fluorophenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-(3-chloro-2-fluorophenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
PubChem CID30599996
Molecular FormulaC17H12ClFN2OS2
Molecular Weight378.88 g/mol
Exact Mass378.01
IUPAC NameN-(3-chloro-2-fluorophenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
SMILESO=C(Nc1cccc(Cl)c1F)c1ccc(SCc2cscn2)cc1
InChIInChI=1S/C17H12ClFN2OS2/c18-14-2-1-3-15(16(14)19)21-17(22)11-4-6-13(7-5-11)24-9-12-8-23-10-20-12/h1-8,10H,9H2,(H,21,22)
InChIKeyJOVHBUNHQXQJBB-UHFFFAOYSA-N
XLogP5.48
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.88
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluoro-2-methylphenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 24630722
4-(aminomethyl)-N-(3-chloro-2-fluorophenyl)benzamide
CID 28969294
N-(2-methyl-6-propan-2-ylphenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 24630594
N-(5-methyl-1,3-thiazol-2-yl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 24630692
N-(4-cyanophenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 24630561
N-[4-(difluoromethoxy)phenyl]-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 24630642
4-[(3-chloro-2-fluorophenyl)carbamoyl]benzoic acid
CID 43452947
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 24630862
4-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazole
CID 91538393
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-(1,3-thiazol-4-ylmethylsulfanyl)benzoate
CID 30604792
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 24651533
4-(benzimidazol-1-yl)-N-(3-chloro-2-fluorophenyl)benzamide
CID 25352298

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-fluorophenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide?
The IUPAC name of N-(3-chloro-2-fluorophenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide (CID 30599996) is N-(3-chloro-2-fluorophenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide.
What is the SMILES notation for N-(3-chloro-2-fluorophenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide?
The canonical SMILES for N-(3-chloro-2-fluorophenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide is O=C(Nc1cccc(Cl)c1F)c1ccc(SCc2cscn2)cc1.
What is the InChIKey of N-(3-chloro-2-fluorophenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide?
The InChIKey is JOVHBUNHQXQJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN2OS2/c18-14-2-1-3-15(16(14)19)21-17(22)11-4-6-13(7-5-11)24-9-12-8-23-10-20-12/h1-8,10H,9H2,(H,21,22).
What are the key properties of N-(3-chloro-2-fluorophenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide?
N-(3-chloro-2-fluorophenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide has a molecular weight of 378.88 g/mol, XLogP of 5.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-fluorophenyl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide is sourced from PubChem (CID 30599996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).