2-[[(4-chloro-1,3-thiazol-2-yl)amino]methyl]cyclopentan-1-ol

C9H13ClN2OS — CID 83152428

IUPAC2-[[(4-chloro-1,3-thiazol-2-yl)amino]methyl]cyclopentan-1-ol
SMILESOC1CCCC1CNc1nc(Cl)cs1
InChIInChI=1S/C9H13ClN2OS/c10-8-5-14-9(12-8)11-4-6-2-1-3-7(6)13/h5-7,13H,1-4H2,(H,11,12)
InChIKeyZEXBKOMTZIABDC-UHFFFAOYSA-N
MW232.74 g/mol
LogP2.37
Rot. Bonds3

About 2-[[(4-chloro-1,3-thiazol-2-yl)amino]methyl]cyclopentan-1-ol

2-[[(4-chloro-1,3-thiazol-2-yl)amino]methyl]cyclopentan-1-ol (PubChem CID 83152428) has the molecular formula C9H13ClN2OS and a molecular weight of 232.74 g/mol. Its IUPAC name is 2-[[(4-chloro-1,3-thiazol-2-yl)amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[[(4-chloro-1,3-thiazol-2-yl)amino]methyl]cyclopentan-1-ol
PubChem CID83152428
Molecular FormulaC9H13ClN2OS
Molecular Weight232.74 g/mol
Exact Mass232.04
IUPAC Name2-[[(4-chloro-1,3-thiazol-2-yl)amino]methyl]cyclopentan-1-ol
SMILESOC1CCCC1CNc1nc(Cl)cs1
InChIInChI=1S/C9H13ClN2OS/c10-8-5-14-9(12-8)11-4-6-2-1-3-7(6)13/h5-7,13H,1-4H2,(H,11,12)
InChIKeyZEXBKOMTZIABDC-UHFFFAOYSA-N
XLogP2.37
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.74
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[(4-chloro-1,3-thiazol-2-yl)amino]methyl]cyclopentan-1-ol 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-chloro-1,3-thiazol-2-yl)amino]methyl]cyclopentan-1-ol?
The IUPAC name of 2-[[(4-chloro-1,3-thiazol-2-yl)amino]methyl]cyclopentan-1-ol (CID 83152428) is 2-[[(4-chloro-1,3-thiazol-2-yl)amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 2-[[(4-chloro-1,3-thiazol-2-yl)amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 2-[[(4-chloro-1,3-thiazol-2-yl)amino]methyl]cyclopentan-1-ol is OC1CCCC1CNc1nc(Cl)cs1.
What is the InChIKey of 2-[[(4-chloro-1,3-thiazol-2-yl)amino]methyl]cyclopentan-1-ol?
The InChIKey is ZEXBKOMTZIABDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2OS/c10-8-5-14-9(12-8)11-4-6-2-1-3-7(6)13/h5-7,13H,1-4H2,(H,11,12).
What are the key properties of 2-[[(4-chloro-1,3-thiazol-2-yl)amino]methyl]cyclopentan-1-ol?
2-[[(4-chloro-1,3-thiazol-2-yl)amino]methyl]cyclopentan-1-ol has a molecular weight of 232.74 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-chloro-1,3-thiazol-2-yl)amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 83152428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).