4-(3-chloro-4-pyridinyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazol-2-amine

C15H13ClN4S — CID 100639818

IUPAC4-(3-chloro-4-pyridinyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazol-2-amine
SMILESClc1cnccc1-c1csc(NCCc2ccccn2)n1
InChIInChI=1S/C15H13ClN4S/c16-13-9-17-7-5-12(13)14-10-21-15(20-14)19-8-4-11-3-1-2-6-18-11/h1-3,5-7,9-10H,4,8H2,(H,19,20)
InChIKeyNZZUNSLEFXSVFE-UHFFFAOYSA-N
MW316.82 g/mol
LogP3.91
Rot. Bonds5

About 4-(3-chloro-4-pyridinyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazol-2-amine

4-(3-chloro-4-pyridinyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazol-2-amine (PubChem CID 100639818) has the molecular formula C15H13ClN4S and a molecular weight of 316.82 g/mol. Its IUPAC name is 4-(3-chloro-4-pyridinyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(3-chloro-4-pyridinyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazol-2-amine
PubChem CID100639818
Molecular FormulaC15H13ClN4S
Molecular Weight316.82 g/mol
Exact Mass316.05
IUPAC Name4-(3-chloro-4-pyridinyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazol-2-amine
SMILESClc1cnccc1-c1csc(NCCc2ccccn2)n1
InChIInChI=1S/C15H13ClN4S/c16-13-9-17-7-5-12(13)14-10-21-15(20-14)19-8-4-11-3-1-2-6-18-11/h1-3,5-7,9-10H,4,8H2,(H,19,20)
InChIKeyNZZUNSLEFXSVFE-UHFFFAOYSA-N
XLogP3.91
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.82
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(3-chloro-4-pyridinyl)-N-(2-pyridin-2-ylethyl)-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-(3-chloro-4-pyridinyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(3-chloro-4-pyridinyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazol-2-amine (CID 100639818) is 4-(3-chloro-4-pyridinyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(3-chloro-4-pyridinyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(3-chloro-4-pyridinyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazol-2-amine is Clc1cnccc1-c1csc(NCCc2ccccn2)n1.
What is the InChIKey of 4-(3-chloro-4-pyridinyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazol-2-amine?
The InChIKey is NZZUNSLEFXSVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4S/c16-13-9-17-7-5-12(13)14-10-21-15(20-14)19-8-4-11-3-1-2-6-18-11/h1-3,5-7,9-10H,4,8H2,(H,19,20).
What are the key properties of 4-(3-chloro-4-pyridinyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazol-2-amine?
4-(3-chloro-4-pyridinyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazol-2-amine has a molecular weight of 316.82 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-pyridinyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 100639818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).