N-(5-fluoro-2-methylphenyl)-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide

C18H15FN2OS2 — CID 55528362

IUPACN-(5-fluoro-2-methylphenyl)-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
SMILESCc1ccc(F)cc1NC(=O)c1ccccc1SCc1cscn1
InChIInChI=1S/C18H15FN2OS2/c1-12-6-7-13(19)8-16(12)21-18(22)15-4-2-3-5-17(15)24-10-14-9-23-11-20-14/h2-9,11H,10H2,1H3,(H,21,22)
InChIKeyIXVKGHYKLVJSHT-UHFFFAOYSA-N
MW358.46 g/mol
LogP5.14
Rot. Bonds5

About N-(5-fluoro-2-methylphenyl)-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide

N-(5-fluoro-2-methylphenyl)-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide (PubChem CID 55528362) has the molecular formula C18H15FN2OS2 and a molecular weight of 358.46 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-(5-fluoro-2-methylphenyl)-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
PubChem CID55528362
Molecular FormulaC18H15FN2OS2
Molecular Weight358.46 g/mol
Exact Mass358.06
IUPAC NameN-(5-fluoro-2-methylphenyl)-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
SMILESCc1ccc(F)cc1NC(=O)c1ccccc1SCc1cscn1
InChIInChI=1S/C18H15FN2OS2/c1-12-6-7-13(19)8-16(12)21-18(22)15-4-2-3-5-17(15)24-10-14-9-23-11-20-14/h2-9,11H,10H2,1H3,(H,21,22)
InChIKeyIXVKGHYKLVJSHT-UHFFFAOYSA-N
XLogP5.14
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.46
LogP ≤ 55.14
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
5-ethyl-4-methyl-N'-[2-(1,3-thiazol-4-ylmethylsulfanyl)benzoyl]thiophene-2-carbohydrazide
CID 43048855
N-pyridin-3-yl-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 30887149
N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 60556707
N-[(3-methylphenyl)methyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 33283315
N-(5-fluoro-2-methylphenyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide
CID 55345576
N-[2-(2-methoxyphenyl)ethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 36653546
N-[2-fluoro-5-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 55548772
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 36859277
N-(4-fluorophenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 42030584
N'-[2-(2-ethylphenoxy)acetyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzohydrazide
CID 55536973
N-[1-(5-methylfuran-2-yl)ethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 134046822

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide?
The IUPAC name of N-(5-fluoro-2-methylphenyl)-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide (CID 55528362) is N-(5-fluoro-2-methylphenyl)-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide.
What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide?
The canonical SMILES for N-(5-fluoro-2-methylphenyl)-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide is Cc1ccc(F)cc1NC(=O)c1ccccc1SCc1cscn1.
What is the InChIKey of N-(5-fluoro-2-methylphenyl)-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide?
The InChIKey is IXVKGHYKLVJSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2OS2/c1-12-6-7-13(19)8-16(12)21-18(22)15-4-2-3-5-17(15)24-10-14-9-23-11-20-14/h2-9,11H,10H2,1H3,(H,21,22).
What are the key properties of N-(5-fluoro-2-methylphenyl)-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide?
N-(5-fluoro-2-methylphenyl)-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide has a molecular weight of 358.46 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methylphenyl)-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide is sourced from PubChem (CID 55528362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).