N-pyridin-3-yl-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide

C16H13N3OS2 — CID 30887149

IUPACN-pyridin-3-yl-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
SMILESO=C(Nc1cccnc1)c1ccccc1SCc1cscn1
InChIInChI=1S/C16H13N3OS2/c20-16(19-12-4-3-7-17-8-12)14-5-1-2-6-15(14)22-10-13-9-21-11-18-13/h1-9,11H,10H2,(H,19,20)
InChIKeyUEYLLHSDBZPOIN-UHFFFAOYSA-N
MW327.43 g/mol
LogP4.08
Rot. Bonds5

About N-pyridin-3-yl-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide

N-pyridin-3-yl-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide (PubChem CID 30887149) has the molecular formula C16H13N3OS2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-pyridin-3-yl-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-pyridin-3-yl-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
PubChem CID30887149
Molecular FormulaC16H13N3OS2
Molecular Weight327.43 g/mol
Exact Mass327.05
IUPAC NameN-pyridin-3-yl-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
SMILESO=C(Nc1cccnc1)c1ccccc1SCc1cscn1
InChIInChI=1S/C16H13N3OS2/c20-16(19-12-4-3-7-17-8-12)14-5-1-2-6-15(14)22-10-13-9-21-11-18-13/h1-9,11H,10H2,(H,19,20)
InChIKeyUEYLLHSDBZPOIN-UHFFFAOYSA-N
XLogP4.08
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-hydroxy-2-pyridin-3-ylethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 97013879
N-(6-pyrrolidin-1-yl-3-pyridinyl)-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 39505038
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 32945841
N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 55890816
N-(5-fluoro-2-methylphenyl)-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 55528362
N-[4-(2,3-dihydroindol-1-yl)phenyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 55731318
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 36859277
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 46454933
N-[4-(3-methylpyrrolidin-1-yl)phenyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 56556157
N-[2-(dimethylamino)-2-phenylethyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 47021185
N'-[2-(4-chlorophenyl)acetyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzohydrazide
CID 55555197
5-ethyl-4-methyl-N'-[2-(1,3-thiazol-4-ylmethylsulfanyl)benzoyl]thiophene-2-carbohydrazide
CID 43048855

Frequently Asked Questions

What is the IUPAC name of N-pyridin-3-yl-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide?
The IUPAC name of N-pyridin-3-yl-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide (CID 30887149) is N-pyridin-3-yl-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide.
What is the SMILES notation for N-pyridin-3-yl-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide?
The canonical SMILES for N-pyridin-3-yl-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide is O=C(Nc1cccnc1)c1ccccc1SCc1cscn1.
What is the InChIKey of N-pyridin-3-yl-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide?
The InChIKey is UEYLLHSDBZPOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3OS2/c20-16(19-12-4-3-7-17-8-12)14-5-1-2-6-15(14)22-10-13-9-21-11-18-13/h1-9,11H,10H2,(H,19,20).
What are the key properties of N-pyridin-3-yl-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide?
N-pyridin-3-yl-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide has a molecular weight of 327.43 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-3-yl-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide is sourced from PubChem (CID 30887149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).