N-[4-[4-(4-methoxyanilino)-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide

C24H22N4O2S — CID 162671839

IUPACN-[4-[4-(4-methoxyanilino)-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
SMILESCOc1ccc(Nc2cc(C)c(-c3csc(NC(=O)c4ccncc4)n3)c(C)c2)cc1
InChIInChI=1S/C24H22N4O2S/c1-15-12-19(26-18-4-6-20(30-3)7-5-18)13-16(2)22(15)21-14-31-24(27-21)28-23(29)17-8-10-25-11-9-17/h4-14,26H,1-3H3,(H,27,28,29)
InChIKeyYQJCCAMRDDWIDC-UHFFFAOYSA-N
MW430.53 g/mol
LogP5.83
Rot. Bonds6

About N-[4-[4-(4-methoxyanilino)-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide

N-[4-[4-(4-methoxyanilino)-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide (PubChem CID 162671839) has the molecular formula C24H22N4O2S and a molecular weight of 430.53 g/mol. Its IUPAC name is N-[4-[4-(4-methoxyanilino)-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(4-methoxyanilino)-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
PubChem CID162671839
Molecular FormulaC24H22N4O2S
Molecular Weight430.53 g/mol
Exact Mass430.15
IUPAC NameN-[4-[4-(4-methoxyanilino)-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
SMILESCOc1ccc(Nc2cc(C)c(-c3csc(NC(=O)c4ccncc4)n3)c(C)c2)cc1
InChIInChI=1S/C24H22N4O2S/c1-15-12-19(26-18-4-6-20(30-3)7-5-18)13-16(2)22(15)21-14-31-24(27-21)28-23(29)17-8-10-25-11-9-17/h4-14,26H,1-3H3,(H,27,28,29)
InChIKeyYQJCCAMRDDWIDC-UHFFFAOYSA-N
XLogP5.83
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.53
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-methoxyanilino)-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The IUPAC name of N-[4-[4-(4-methoxyanilino)-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide (CID 162671839) is N-[4-[4-(4-methoxyanilino)-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-[4-(4-methoxyanilino)-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[4-[4-(4-methoxyanilino)-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide is COc1ccc(Nc2cc(C)c(-c3csc(NC(=O)c4ccncc4)n3)c(C)c2)cc1.
What is the InChIKey of N-[4-[4-(4-methoxyanilino)-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The InChIKey is YQJCCAMRDDWIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2S/c1-15-12-19(26-18-4-6-20(30-3)7-5-18)13-16(2)22(15)21-14-31-24(27-21)28-23(29)17-8-10-25-11-9-17/h4-14,26H,1-3H3,(H,27,28,29).
What are the key properties of N-[4-[4-(4-methoxyanilino)-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide?
N-[4-[4-(4-methoxyanilino)-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide has a molecular weight of 430.53 g/mol, XLogP of 5.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4-methoxyanilino)-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 162671839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).