2-[4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanamine

C15H15ClN4S — CID 66379416

IUPAC2-[4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanamine
SMILESNCCc1nc(-c2nc3cc(Cl)ccc3n2C2CC2)cs1
InChIInChI=1S/C15H15ClN4S/c16-9-1-4-13-11(7-9)19-15(20(13)10-2-3-10)12-8-21-14(18-12)5-6-17/h1,4,7-8,10H,2-3,5-6,17H2
InChIKeyYPRNOGXNFCOCON-UHFFFAOYSA-N
MW318.83 g/mol
LogP3.65
Rot. Bonds4

About 2-[4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanamine

2-[4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanamine (PubChem CID 66379416) has the molecular formula C15H15ClN4S and a molecular weight of 318.83 g/mol. Its IUPAC name is 2-[4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanamine
PubChem CID66379416
Molecular FormulaC15H15ClN4S
Molecular Weight318.83 g/mol
Exact Mass318.07
IUPAC Name2-[4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanamine
SMILESNCCc1nc(-c2nc3cc(Cl)ccc3n2C2CC2)cs1
InChIInChI=1S/C15H15ClN4S/c16-9-1-4-13-11(7-9)19-15(20(13)10-2-3-10)12-8-21-14(18-12)5-6-17/h1,4,7-8,10H,2-3,5-6,17H2
InChIKeyYPRNOGXNFCOCON-UHFFFAOYSA-N
XLogP3.65
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanamine 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 2-[4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanamine?
The IUPAC name of 2-[4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanamine (CID 66379416) is 2-[4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanamine.
What is the SMILES notation for 2-[4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanamine?
The canonical SMILES for 2-[4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanamine is NCCc1nc(-c2nc3cc(Cl)ccc3n2C2CC2)cs1.
What is the InChIKey of 2-[4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanamine?
The InChIKey is YPRNOGXNFCOCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4S/c16-9-1-4-13-11(7-9)19-15(20(13)10-2-3-10)12-8-21-14(18-12)5-6-17/h1,4,7-8,10H,2-3,5-6,17H2.
What are the key properties of 2-[4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanamine?
2-[4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanamine has a molecular weight of 318.83 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-chloro-1-cyclopropylbenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanamine is sourced from PubChem (CID 66379416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).