4-(4-methylphenyl)-N-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethyl]-1,3-thiazol-2-amine

C24H21N5S — CID 24819707

IUPAC4-(4-methylphenyl)-N-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethyl]-1,3-thiazol-2-amine
SMILESCc1ccc(-c2csc(NCCn3c(-c4ccncc4)nc4ccccc43)n2)cc1
InChIInChI=1S/C24H21N5S/c1-17-6-8-18(9-7-17)21-16-30-24(28-21)26-14-15-29-22-5-3-2-4-20(22)27-23(29)19-10-12-25-13-11-19/h2-13,16H,14-15H2,1H3,(H,26,28)
InChIKeyWOTAZPCNPYQADK-UHFFFAOYSA-N
MW411.53 g/mol
LogP5.64
Rot. Bonds6

About 4-(4-methylphenyl)-N-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethyl]-1,3-thiazol-2-amine

4-(4-methylphenyl)-N-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethyl]-1,3-thiazol-2-amine (PubChem CID 24819707) has the molecular formula C24H21N5S and a molecular weight of 411.53 g/mol. Its IUPAC name is 4-(4-methylphenyl)-N-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-methylphenyl)-N-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethyl]-1,3-thiazol-2-amine
PubChem CID24819707
Molecular FormulaC24H21N5S
Molecular Weight411.53 g/mol
Exact Mass411.15
IUPAC Name4-(4-methylphenyl)-N-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethyl]-1,3-thiazol-2-amine
SMILESCc1ccc(-c2csc(NCCn3c(-c4ccncc4)nc4ccccc43)n2)cc1
InChIInChI=1S/C24H21N5S/c1-17-6-8-18(9-7-17)21-16-30-24(28-21)26-14-15-29-22-5-3-2-4-20(22)27-23(29)19-10-12-25-13-11-19/h2-13,16H,14-15H2,1H3,(H,26,28)
InChIKeyWOTAZPCNPYQADK-UHFFFAOYSA-N
XLogP5.64
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.53
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(4-methylphenyl)-N-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethyl]-1,3-thiazol-2-amine 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 4-(4-methylphenyl)-N-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-methylphenyl)-N-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethyl]-1,3-thiazol-2-amine (CID 24819707) is 4-(4-methylphenyl)-N-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-methylphenyl)-N-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-methylphenyl)-N-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethyl]-1,3-thiazol-2-amine is Cc1ccc(-c2csc(NCCn3c(-c4ccncc4)nc4ccccc43)n2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-N-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethyl]-1,3-thiazol-2-amine?
The InChIKey is WOTAZPCNPYQADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5S/c1-17-6-8-18(9-7-17)21-16-30-24(28-21)26-14-15-29-22-5-3-2-4-20(22)27-23(29)19-10-12-25-13-11-19/h2-13,16H,14-15H2,1H3,(H,26,28).
What are the key properties of 4-(4-methylphenyl)-N-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethyl]-1,3-thiazol-2-amine?
4-(4-methylphenyl)-N-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethyl]-1,3-thiazol-2-amine has a molecular weight of 411.53 g/mol, XLogP of 5.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-N-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 24819707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).