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

C19H15ClN4OS2 — CID 21233197

IUPACN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[(3-cyano-6-methyl-2-pyridinyl)sulfanyl]propanamide
SMILESCc1ccc(C#N)c(SCCC(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)n1
InChIInChI=1S/C19H15ClN4OS2/c1-12-2-3-14(10-21)18(22-12)26-9-8-17(25)24-19-23-16(11-27-19)13-4-6-15(20)7-5-13/h2-7,11H,8-9H2,1H3,(H,23,24,25)
InChIKeyBYINQLSBQFKZAB-UHFFFAOYSA-N
MW414.94 g/mol
LogP5.16
Rot. Bonds6

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

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[(3-cyano-6-methyl-2-pyridinyl)sulfanyl]propanamide (PubChem CID 21233197) has the molecular formula C19H15ClN4OS2 and a molecular weight of 414.94 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[(3-cyano-6-methyl-2-pyridinyl)sulfanyl]propanamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[(3-cyano-6-methyl-2-pyridinyl)sulfanyl]propanamide
PubChem CID21233197
Molecular FormulaC19H15ClN4OS2
Molecular Weight414.94 g/mol
Exact Mass414.04
IUPAC NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[(3-cyano-6-methyl-2-pyridinyl)sulfanyl]propanamide
SMILESCc1ccc(C#N)c(SCCC(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)n1
InChIInChI=1S/C19H15ClN4OS2/c1-12-2-3-14(10-21)18(22-12)26-9-8-17(25)24-19-23-16(11-27-19)13-4-6-15(20)7-5-13/h2-7,11H,8-9H2,1H3,(H,23,24,25)
InChIKeyBYINQLSBQFKZAB-UHFFFAOYSA-N
XLogP5.16
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.94
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

3-[[3-cyano-6-(4-methylphenyl)-2-pyridinyl]sulfanyl]-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide
CID 23804381
3-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 23917412
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]sulfanyl]acetamide
CID 23774888
3-[(6-butyl-3-cyano-2-pyridinyl)sulfanyl]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide
CID 23889430
3-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)propanamide
CID 23917395
3-[(6-butyl-3-cyano-2-pyridinyl)sulfanyl]-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide
CID 23973412
N-(4-acetamidophenyl)-3-[[6-(4-chlorophenyl)-3-cyano-2-pyridinyl]sulfanyl]propanamide
CID 23804302
3-[[6-(4-chlorophenyl)-3-cyano-2-pyridinyl]sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
CID 23973384
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)sulfanylpropanamide
CID 41324837
N-(4-bromophenyl)-3-[[6-(4-chlorophenyl)-3-cyano-2-pyridinyl]sulfanyl]propanamide
CID 23945159
2-(4-chlorophenyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 844056
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[[3-cyano-6-phenyl-4-(3,4,5-trimethoxyphenyl)-2-pyridinyl]sulfanyl]propanamide
CID 23889414

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[(3-cyano-6-methyl-2-pyridinyl)sulfanyl]propanamide?
The IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[(3-cyano-6-methyl-2-pyridinyl)sulfanyl]propanamide (CID 21233197) is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[(3-cyano-6-methyl-2-pyridinyl)sulfanyl]propanamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[(3-cyano-6-methyl-2-pyridinyl)sulfanyl]propanamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[(3-cyano-6-methyl-2-pyridinyl)sulfanyl]propanamide is Cc1ccc(C#N)c(SCCC(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)n1.
What is the InChIKey of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[(3-cyano-6-methyl-2-pyridinyl)sulfanyl]propanamide?
The InChIKey is BYINQLSBQFKZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4OS2/c1-12-2-3-14(10-21)18(22-12)26-9-8-17(25)24-19-23-16(11-27-19)13-4-6-15(20)7-5-13/h2-7,11H,8-9H2,1H3,(H,23,24,25).
What are the key properties of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[(3-cyano-6-methyl-2-pyridinyl)sulfanyl]propanamide?
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[(3-cyano-6-methyl-2-pyridinyl)sulfanyl]propanamide has a molecular weight of 414.94 g/mol, XLogP of 5.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[(3-cyano-6-methyl-2-pyridinyl)sulfanyl]propanamide is sourced from PubChem (CID 21233197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).