3-chloro-5-(cyclopentylamino)-1,2-thiazole-4-carbonitrile

C9H10ClN3S — CID 47214669

IUPAC3-chloro-5-(cyclopentylamino)-1,2-thiazole-4-carbonitrile
SMILESN#Cc1c(Cl)nsc1NC1CCCC1
InChIInChI=1S/C9H10ClN3S/c10-8-7(5-11)9(14-13-8)12-6-3-1-2-4-6/h6,12H,1-4H2
InChIKeyMHEGQORSOWZPOZ-UHFFFAOYSA-N
MW227.72 g/mol
LogP3.02
Rot. Bonds2

About 3-chloro-5-(cyclopentylamino)-1,2-thiazole-4-carbonitrile

3-chloro-5-(cyclopentylamino)-1,2-thiazole-4-carbonitrile (PubChem CID 47214669) has the molecular formula C9H10ClN3S and a molecular weight of 227.72 g/mol. Its IUPAC name is 3-chloro-5-(cyclopentylamino)-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-5-(cyclopentylamino)-1,2-thiazole-4-carbonitrile
PubChem CID47214669
Molecular FormulaC9H10ClN3S
Molecular Weight227.72 g/mol
Exact Mass227.03
IUPAC Name3-chloro-5-(cyclopentylamino)-1,2-thiazole-4-carbonitrile
SMILESN#Cc1c(Cl)nsc1NC1CCCC1
InChIInChI=1S/C9H10ClN3S/c10-8-7(5-11)9(14-13-8)12-6-3-1-2-4-6/h6,12H,1-4H2
InChIKeyMHEGQORSOWZPOZ-UHFFFAOYSA-N
XLogP3.02
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.72
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-chloro-5-(cyclopentylamino)-1,2-thiazole-4-carbonitrile 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 3-chloro-5-(cyclopentylamino)-1,2-thiazole-4-carbonitrile?
The IUPAC name of 3-chloro-5-(cyclopentylamino)-1,2-thiazole-4-carbonitrile (CID 47214669) is 3-chloro-5-(cyclopentylamino)-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 3-chloro-5-(cyclopentylamino)-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 3-chloro-5-(cyclopentylamino)-1,2-thiazole-4-carbonitrile is N#Cc1c(Cl)nsc1NC1CCCC1.
What is the InChIKey of 3-chloro-5-(cyclopentylamino)-1,2-thiazole-4-carbonitrile?
The InChIKey is MHEGQORSOWZPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3S/c10-8-7(5-11)9(14-13-8)12-6-3-1-2-4-6/h6,12H,1-4H2.
What are the key properties of 3-chloro-5-(cyclopentylamino)-1,2-thiazole-4-carbonitrile?
3-chloro-5-(cyclopentylamino)-1,2-thiazole-4-carbonitrile has a molecular weight of 227.72 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(cyclopentylamino)-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 47214669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).