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

C18H17N3OS — CID 4812517

IUPACN-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
SMILESCc1cc(C)c(-c2csc(NC(=O)c3ccncc3)n2)c(C)c1
InChIInChI=1S/C18H17N3OS/c1-11-8-12(2)16(13(3)9-11)15-10-23-18(20-15)21-17(22)14-4-6-19-7-5-14/h4-10H,1-3H3,(H,20,21,22)
InChIKeyRFUKJHFXBGDHNJ-UHFFFAOYSA-N
MW323.42 g/mol
LogP4.38
Rot. Bonds3

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

N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide (PubChem CID 4812517) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
PubChem CID4812517
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC NameN-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
SMILESCc1cc(C)c(-c2csc(NC(=O)c3ccncc3)n2)c(C)c1
InChIInChI=1S/C18H17N3OS/c1-11-8-12(2)16(13(3)9-11)15-10-23-18(20-15)21-17(22)14-4-6-19-7-5-14/h4-10H,1-3H3,(H,20,21,22)
InChIKeyRFUKJHFXBGDHNJ-UHFFFAOYSA-N
XLogP4.38
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-(2,4,6-trimethylphenyl)-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-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The IUPAC name of N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide (CID 4812517) is N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide is Cc1cc(C)c(-c2csc(NC(=O)c3ccncc3)n2)c(C)c1.
What is the InChIKey of N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The InChIKey is RFUKJHFXBGDHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS/c1-11-8-12(2)16(13(3)9-11)15-10-23-18(20-15)21-17(22)14-4-6-19-7-5-14/h4-10H,1-3H3,(H,20,21,22).
What are the key properties of N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide has a molecular weight of 323.42 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 4812517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).