N-[4-[4-(4-chlorophenyl)sulfanyl-3,5-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide

C23H18ClN3OS2 — CID 174737343

IUPACN-[4-[4-(4-chlorophenyl)sulfanyl-3,5-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
SMILESCc1cc(-c2csc(NC(=O)c3ccncc3)n2)cc(C)c1Sc1ccc(Cl)cc1
InChIInChI=1S/C23H18ClN3OS2/c1-14-11-17(12-15(2)21(14)30-19-5-3-18(24)4-6-19)20-13-29-23(26-20)27-22(28)16-7-9-25-10-8-16/h3-13H,1-2H3,(H,26,27,28)
InChIKeyLACQGDNNMXGIRE-UHFFFAOYSA-N
MW452.00 g/mol
LogP6.88
Rot. Bonds5

About N-[4-[4-(4-chlorophenyl)sulfanyl-3,5-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide

N-[4-[4-(4-chlorophenyl)sulfanyl-3,5-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide (PubChem CID 174737343) has the molecular formula C23H18ClN3OS2 and a molecular weight of 452.00 g/mol. Its IUPAC name is N-[4-[4-(4-chlorophenyl)sulfanyl-3,5-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(4-chlorophenyl)sulfanyl-3,5-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
PubChem CID174737343
Molecular FormulaC23H18ClN3OS2
Molecular Weight452.00 g/mol
Exact Mass451.06
IUPAC NameN-[4-[4-(4-chlorophenyl)sulfanyl-3,5-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
SMILESCc1cc(-c2csc(NC(=O)c3ccncc3)n2)cc(C)c1Sc1ccc(Cl)cc1
InChIInChI=1S/C23H18ClN3OS2/c1-14-11-17(12-15(2)21(14)30-19-5-3-18(24)4-6-19)20-13-29-23(26-20)27-22(28)16-7-9-25-10-8-16/h3-13H,1-2H3,(H,26,27,28)
InChIKeyLACQGDNNMXGIRE-UHFFFAOYSA-N
XLogP6.88
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.00
LogP ≤ 56.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(3-methoxy-4,5-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 58442481
4-methylsulfanyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
CID 22581409
3,5-dichloro-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
CID 5159271
4-propan-2-ylsulfanyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
CID 16875244
3-chloro-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
CID 4115065
N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 896408
N-[4-(4-hydroxy-2,6-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 86690827
N-[4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 88901622
N-[4-[4-(4-bromophenyl)-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 152683928
4-acetamido-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 7923619
4-chloro-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2332435
3,5-dichloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2562898

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-chlorophenyl)sulfanyl-3,5-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The IUPAC name of N-[4-[4-(4-chlorophenyl)sulfanyl-3,5-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide (CID 174737343) is N-[4-[4-(4-chlorophenyl)sulfanyl-3,5-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-[4-(4-chlorophenyl)sulfanyl-3,5-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[4-[4-(4-chlorophenyl)sulfanyl-3,5-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide is Cc1cc(-c2csc(NC(=O)c3ccncc3)n2)cc(C)c1Sc1ccc(Cl)cc1.
What is the InChIKey of N-[4-[4-(4-chlorophenyl)sulfanyl-3,5-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The InChIKey is LACQGDNNMXGIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3OS2/c1-14-11-17(12-15(2)21(14)30-19-5-3-18(24)4-6-19)20-13-29-23(26-20)27-22(28)16-7-9-25-10-8-16/h3-13H,1-2H3,(H,26,27,28).
What are the key properties of N-[4-[4-(4-chlorophenyl)sulfanyl-3,5-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide?
N-[4-[4-(4-chlorophenyl)sulfanyl-3,5-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide has a molecular weight of 452.00 g/mol, XLogP of 6.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4-chlorophenyl)sulfanyl-3,5-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 174737343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).