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

C25H23N3O2S — CID 53389652

IUPACN-[4-[4-[(4-methoxyphenyl)methyl]-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
SMILESCOc1ccc(Cc2cc(C)c(-c3csc(NC(=O)c4ccncc4)n3)c(C)c2)cc1
InChIInChI=1S/C25H23N3O2S/c1-16-12-19(14-18-4-6-21(30-3)7-5-18)13-17(2)23(16)22-15-31-25(27-22)28-24(29)20-8-10-26-11-9-20/h4-13,15H,14H2,1-3H3,(H,27,28,29)
InChIKeyILXXCNQLKQLLNW-UHFFFAOYSA-N
MW429.55 g/mol
LogP5.67
Rot. Bonds6

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

N-[4-[4-[(4-methoxyphenyl)methyl]-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide (PubChem CID 53389652) has the molecular formula C25H23N3O2S and a molecular weight of 429.55 g/mol. Its IUPAC name is N-[4-[4-[(4-methoxyphenyl)methyl]-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[4-[(4-methoxyphenyl)methyl]-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
PubChem CID53389652
Molecular FormulaC25H23N3O2S
Molecular Weight429.55 g/mol
Exact Mass429.15
IUPAC NameN-[4-[4-[(4-methoxyphenyl)methyl]-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
SMILESCOc1ccc(Cc2cc(C)c(-c3csc(NC(=O)c4ccncc4)n3)c(C)c2)cc1
InChIInChI=1S/C25H23N3O2S/c1-16-12-19(14-18-4-6-21(30-3)7-5-18)13-17(2)23(16)22-15-31-25(27-22)28-24(29)20-8-10-26-11-9-20/h4-13,15H,14H2,1-3H3,(H,27,28,29)
InChIKeyILXXCNQLKQLLNW-UHFFFAOYSA-N
XLogP5.67
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.55
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-[4-[(4-methoxyphenyl)methyl]-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[(4-methoxyphenyl)methyl]-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The IUPAC name of N-[4-[4-[(4-methoxyphenyl)methyl]-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide (CID 53389652) is N-[4-[4-[(4-methoxyphenyl)methyl]-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-[4-[(4-methoxyphenyl)methyl]-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[4-[4-[(4-methoxyphenyl)methyl]-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide is COc1ccc(Cc2cc(C)c(-c3csc(NC(=O)c4ccncc4)n3)c(C)c2)cc1.
What is the InChIKey of N-[4-[4-[(4-methoxyphenyl)methyl]-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The InChIKey is ILXXCNQLKQLLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2S/c1-16-12-19(14-18-4-6-21(30-3)7-5-18)13-17(2)23(16)22-15-31-25(27-22)28-24(29)20-8-10-26-11-9-20/h4-13,15H,14H2,1-3H3,(H,27,28,29).
What are the key properties of N-[4-[4-[(4-methoxyphenyl)methyl]-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide?
N-[4-[4-[(4-methoxyphenyl)methyl]-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide has a molecular weight of 429.55 g/mol, XLogP of 5.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[(4-methoxyphenyl)methyl]-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 53389652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).