N-(4-acetyl-1,3-thiazol-2-yl)-2-(2,4-dimethylphenyl)sulfanylpyridine-3-carboxamide

C19H17N3O2S2 — CID 55435410

IUPACN-(4-acetyl-1,3-thiazol-2-yl)-2-(2,4-dimethylphenyl)sulfanylpyridine-3-carboxamide
SMILESCC(=O)c1csc(NC(=O)c2cccnc2Sc2ccc(C)cc2C)n1
InChIInChI=1S/C19H17N3O2S2/c1-11-6-7-16(12(2)9-11)26-18-14(5-4-8-20-18)17(24)22-19-21-15(10-25-19)13(3)23/h4-10H,1-3H3,(H,21,22,24)
InChIKeyGZDBWPNLIZFPFK-UHFFFAOYSA-N
MW383.50 g/mol
LogP4.76
Rot. Bonds5

About N-(4-acetyl-1,3-thiazol-2-yl)-2-(2,4-dimethylphenyl)sulfanylpyridine-3-carboxamide

N-(4-acetyl-1,3-thiazol-2-yl)-2-(2,4-dimethylphenyl)sulfanylpyridine-3-carboxamide (PubChem CID 55435410) has the molecular formula C19H17N3O2S2 and a molecular weight of 383.50 g/mol. Its IUPAC name is N-(4-acetyl-1,3-thiazol-2-yl)-2-(2,4-dimethylphenyl)sulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetyl-1,3-thiazol-2-yl)-2-(2,4-dimethylphenyl)sulfanylpyridine-3-carboxamide
PubChem CID55435410
Molecular FormulaC19H17N3O2S2
Molecular Weight383.50 g/mol
Exact Mass383.08
IUPAC NameN-(4-acetyl-1,3-thiazol-2-yl)-2-(2,4-dimethylphenyl)sulfanylpyridine-3-carboxamide
SMILESCC(=O)c1csc(NC(=O)c2cccnc2Sc2ccc(C)cc2C)n1
InChIInChI=1S/C19H17N3O2S2/c1-11-6-7-16(12(2)9-11)26-18-14(5-4-8-20-18)17(24)22-19-21-15(10-25-19)13(3)23/h4-10H,1-3H3,(H,21,22,24)
InChIKeyGZDBWPNLIZFPFK-UHFFFAOYSA-N
XLogP4.76
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,4-dimethylphenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 29325010
2-(2,4-dimethylphenyl)sulfanyl-N'-(pyridine-2-carbonyl)pyridine-3-carbohydrazide
CID 32615130
N-cyclopropyl-2-(2,4-dimethylphenyl)sulfanylpyridine-3-carboxamide
CID 32620499
methyl 3-[[2-(2,4-dimethylphenyl)sulfanylpyridine-3-carbonyl]amino]propanoate
CID 4791741
2-(difluoromethylsulfanyl)-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 112773082
N-(4-acetyl-1,3-thiazol-2-yl)-2,3-dimethylbenzamide
CID 47143245
N-(3-cyanophenyl)-2-(2,4-dimethylphenyl)sulfanylpyridine-3-carboxamide
CID 26727774
2-(2,4-dimethylphenyl)sulfanyl-N-(3-hydroxybutyl)pyridine-3-carboxamide
CID 111433755
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-2-(2,4-dimethylphenyl)sulfanylpyridine-3-carboxamide
CID 55654288
2-(2,4-dimethylphenyl)sulfanyl-N-[2-[(4-hydroxybenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 55870004
N-(4-acetyl-1,3-thiazol-2-yl)-2-[(3-methylbenzoyl)amino]benzamide
CID 78820705
2-(2,4-dimethylphenyl)sulfanyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]pyridine-3-carboxamide
CID 55484319

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-2-(2,4-dimethylphenyl)sulfanylpyridine-3-carboxamide?
The IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-2-(2,4-dimethylphenyl)sulfanylpyridine-3-carboxamide (CID 55435410) is N-(4-acetyl-1,3-thiazol-2-yl)-2-(2,4-dimethylphenyl)sulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-(4-acetyl-1,3-thiazol-2-yl)-2-(2,4-dimethylphenyl)sulfanylpyridine-3-carboxamide?
The canonical SMILES for N-(4-acetyl-1,3-thiazol-2-yl)-2-(2,4-dimethylphenyl)sulfanylpyridine-3-carboxamide is CC(=O)c1csc(NC(=O)c2cccnc2Sc2ccc(C)cc2C)n1.
What is the InChIKey of N-(4-acetyl-1,3-thiazol-2-yl)-2-(2,4-dimethylphenyl)sulfanylpyridine-3-carboxamide?
The InChIKey is GZDBWPNLIZFPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S2/c1-11-6-7-16(12(2)9-11)26-18-14(5-4-8-20-18)17(24)22-19-21-15(10-25-19)13(3)23/h4-10H,1-3H3,(H,21,22,24).
What are the key properties of N-(4-acetyl-1,3-thiazol-2-yl)-2-(2,4-dimethylphenyl)sulfanylpyridine-3-carboxamide?
N-(4-acetyl-1,3-thiazol-2-yl)-2-(2,4-dimethylphenyl)sulfanylpyridine-3-carboxamide has a molecular weight of 383.50 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-1,3-thiazol-2-yl)-2-(2,4-dimethylphenyl)sulfanylpyridine-3-carboxamide is sourced from PubChem (CID 55435410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).