4-chloro-5-piperidin-3-yl-1,2-thiazole

C8H11ClN2S — CID 84671186

IUPAC4-chloro-5-piperidin-3-yl-1,2-thiazole
SMILESClc1cnsc1C1CCCNC1
InChIInChI=1S/C8H11ClN2S/c9-7-5-11-12-8(7)6-2-1-3-10-4-6/h5-6,10H,1-4H2
InChIKeyJQTSIPMGTUWTHQ-UHFFFAOYSA-N
MW202.71 g/mol
LogP2.26
Rot. Bonds1

About 4-chloro-5-piperidin-3-yl-1,2-thiazole

4-chloro-5-piperidin-3-yl-1,2-thiazole (PubChem CID 84671186) has the molecular formula C8H11ClN2S and a molecular weight of 202.71 g/mol. Its IUPAC name is 4-chloro-5-piperidin-3-yl-1,2-thiazole.

Molecular Properties

Compound Name4-chloro-5-piperidin-3-yl-1,2-thiazole
PubChem CID84671186
Molecular FormulaC8H11ClN2S
Molecular Weight202.71 g/mol
Exact Mass202.03
IUPAC Name4-chloro-5-piperidin-3-yl-1,2-thiazole
SMILESClc1cnsc1C1CCCNC1
InChIInChI=1S/C8H11ClN2S/c9-7-5-11-12-8(7)6-2-1-3-10-4-6/h5-6,10H,1-4H2
InChIKeyJQTSIPMGTUWTHQ-UHFFFAOYSA-N
XLogP2.26
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.71
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-chloro-5-piperidin-3-yl-1,2-thiazole 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-chloro-5-piperidin-3-yl-1,2-thiazole?
The IUPAC name of 4-chloro-5-piperidin-3-yl-1,2-thiazole (CID 84671186) is 4-chloro-5-piperidin-3-yl-1,2-thiazole.
What is the SMILES notation for 4-chloro-5-piperidin-3-yl-1,2-thiazole?
The canonical SMILES for 4-chloro-5-piperidin-3-yl-1,2-thiazole is Clc1cnsc1C1CCCNC1.
What is the InChIKey of 4-chloro-5-piperidin-3-yl-1,2-thiazole?
The InChIKey is JQTSIPMGTUWTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2S/c9-7-5-11-12-8(7)6-2-1-3-10-4-6/h5-6,10H,1-4H2.
What are the key properties of 4-chloro-5-piperidin-3-yl-1,2-thiazole?
4-chloro-5-piperidin-3-yl-1,2-thiazole has a molecular weight of 202.71 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-piperidin-3-yl-1,2-thiazole is sourced from PubChem (CID 84671186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).