3-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide

C15H16N4OS2 — CID 23746163

IUPAC3-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1csc(NC(=O)CCSc2nc(C)cc(C)c2C#N)n1
InChIInChI=1S/C15H16N4OS2/c1-9-6-10(2)17-14(12(9)7-16)21-5-4-13(20)19-15-18-11(3)8-22-15/h6,8H,4-5H2,1-3H3,(H,18,19,20)
InChIKeyPMQCNIDFAXHBQI-UHFFFAOYSA-N
MW332.45 g/mol
LogP3.46
Rot. Bonds5

About 3-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide

3-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide (PubChem CID 23746163) has the molecular formula C15H16N4OS2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 3-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
PubChem CID23746163
Molecular FormulaC15H16N4OS2
Molecular Weight332.45 g/mol
Exact Mass332.08
IUPAC Name3-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1csc(NC(=O)CCSc2nc(C)cc(C)c2C#N)n1
InChIInChI=1S/C15H16N4OS2/c1-9-6-10(2)17-14(12(9)7-16)21-5-4-13(20)19-15-18-11(3)8-22-15/h6,8H,4-5H2,1-3H3,(H,18,19,20)
InChIKeyPMQCNIDFAXHBQI-UHFFFAOYSA-N
XLogP3.46
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide with MolForge

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Related Compounds

3-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
CID 23833208
3-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]propanamide
CID 23861595
3-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2-methylphenyl)propanamide
CID 23861459
3-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]propanoic acid
CID 19059694
ethyl 2-[2-[[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 3167475
3-(4-chlorophenyl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 2679359
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[(3-cyano-6-methyl-2-pyridinyl)sulfanyl]propanamide
CID 21233197
2-(2-ethylsulfonylethylsulfanyl)-4,6-dimethylpyridine-3-carbonitrile
CID 894238
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 24584663
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(6-methyl-2-pyridinyl)acetamide
CID 690403
3-[[3-cyano-6-(4-methylphenyl)-2-pyridinyl]sulfanyl]-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide
CID 23804381
5-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)pentanamide
CID 79198899

Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide (CID 23746163) is 3-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide is Cc1csc(NC(=O)CCSc2nc(C)cc(C)c2C#N)n1.
What is the InChIKey of 3-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is PMQCNIDFAXHBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS2/c1-9-6-10(2)17-14(12(9)7-16)21-5-4-13(20)19-15-18-11(3)8-22-15/h6,8H,4-5H2,1-3H3,(H,18,19,20).
What are the key properties of 3-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
3-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 332.45 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 23746163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).