2-(3-chloro-2-methylpiperidin-1-yl)-4,5-dimethyl-1,3-thiazole

C11H17ClN2S — CID 131071079

IUPAC2-(3-chloro-2-methylpiperidin-1-yl)-4,5-dimethyl-1,3-thiazole
SMILESCc1nc(N2CCCC(Cl)C2C)sc1C
InChIInChI=1S/C11H17ClN2S/c1-7-9(3)15-11(13-7)14-6-4-5-10(12)8(14)2/h8,10H,4-6H2,1-3H3
InChIKeyZLBFIDOOJZPLPK-UHFFFAOYSA-N
MW244.79 g/mol
LogP3.36
Rot. Bonds1

About 2-(3-chloro-2-methylpiperidin-1-yl)-4,5-dimethyl-1,3-thiazole

2-(3-chloro-2-methylpiperidin-1-yl)-4,5-dimethyl-1,3-thiazole (PubChem CID 131071079) has the molecular formula C11H17ClN2S and a molecular weight of 244.79 g/mol. Its IUPAC name is 2-(3-chloro-2-methylpiperidin-1-yl)-4,5-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name2-(3-chloro-2-methylpiperidin-1-yl)-4,5-dimethyl-1,3-thiazole
PubChem CID131071079
Molecular FormulaC11H17ClN2S
Molecular Weight244.79 g/mol
Exact Mass244.08
IUPAC Name2-(3-chloro-2-methylpiperidin-1-yl)-4,5-dimethyl-1,3-thiazole
SMILESCc1nc(N2CCCC(Cl)C2C)sc1C
InChIInChI=1S/C11H17ClN2S/c1-7-9(3)15-11(13-7)14-6-4-5-10(12)8(14)2/h8,10H,4-6H2,1-3H3
InChIKeyZLBFIDOOJZPLPK-UHFFFAOYSA-N
XLogP3.36
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.79
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-(3-chloro-2-methylpiperidin-1-yl)-4,5-dimethyl-1,3-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 2-(3-chloro-2-methylpiperidin-1-yl)-4,5-dimethyl-1,3-thiazole?
The IUPAC name of 2-(3-chloro-2-methylpiperidin-1-yl)-4,5-dimethyl-1,3-thiazole (CID 131071079) is 2-(3-chloro-2-methylpiperidin-1-yl)-4,5-dimethyl-1,3-thiazole.
What is the SMILES notation for 2-(3-chloro-2-methylpiperidin-1-yl)-4,5-dimethyl-1,3-thiazole?
The canonical SMILES for 2-(3-chloro-2-methylpiperidin-1-yl)-4,5-dimethyl-1,3-thiazole is Cc1nc(N2CCCC(Cl)C2C)sc1C.
What is the InChIKey of 2-(3-chloro-2-methylpiperidin-1-yl)-4,5-dimethyl-1,3-thiazole?
The InChIKey is ZLBFIDOOJZPLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2S/c1-7-9(3)15-11(13-7)14-6-4-5-10(12)8(14)2/h8,10H,4-6H2,1-3H3.
What are the key properties of 2-(3-chloro-2-methylpiperidin-1-yl)-4,5-dimethyl-1,3-thiazole?
2-(3-chloro-2-methylpiperidin-1-yl)-4,5-dimethyl-1,3-thiazole has a molecular weight of 244.79 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-methylpiperidin-1-yl)-4,5-dimethyl-1,3-thiazole is sourced from PubChem (CID 131071079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).