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

C11H17ClN2S — CID 131043281

IUPAC2-(3-chloro-2-methylpiperidin-1-yl)-4-ethyl-1,3-thiazole
SMILESCCc1csc(N2CCCC(Cl)C2C)n1
InChIInChI=1S/C11H17ClN2S/c1-3-9-7-15-11(13-9)14-6-4-5-10(12)8(14)2/h7-8,10H,3-6H2,1-2H3
InChIKeyQWHDQCVIMVQKKV-UHFFFAOYSA-N
MW244.79 g/mol
LogP3.30
Rot. Bonds2

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

2-(3-chloro-2-methylpiperidin-1-yl)-4-ethyl-1,3-thiazole (PubChem CID 131043281) 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-ethyl-1,3-thiazole.

Molecular Properties

Compound Name2-(3-chloro-2-methylpiperidin-1-yl)-4-ethyl-1,3-thiazole
PubChem CID131043281
Molecular FormulaC11H17ClN2S
Molecular Weight244.79 g/mol
Exact Mass244.08
IUPAC Name2-(3-chloro-2-methylpiperidin-1-yl)-4-ethyl-1,3-thiazole
SMILESCCc1csc(N2CCCC(Cl)C2C)n1
InChIInChI=1S/C11H17ClN2S/c1-3-9-7-15-11(13-9)14-6-4-5-10(12)8(14)2/h7-8,10H,3-6H2,1-2H3
InChIKeyQWHDQCVIMVQKKV-UHFFFAOYSA-N
XLogP3.30
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.79
LogP ≤ 53.30
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-ethyl-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

Related Compounds

4-(chloromethyl)-2-(2,3-dimethylpiperidin-1-yl)-1,3-thiazole
CID 62122876
N-[[1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 62960856
4-(chloromethyl)-2-(2-ethylpyrrolidin-1-yl)-1,3-thiazole
CID 60974332
3-[1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]propan-1-amine
CID 63760448
2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-4-ethyl-1,3-thiazole
CID 103198203
1-[1-(4-ethyl-1,3-thiazol-2-yl)piperidin-2-yl]ethanone
CID 63844473
3-[2-(2,3-dimethylpiperidin-1-yl)-1,3-thiazol-4-yl]propanoic acid
CID 103487248
N-[[1-(4-ethyl-1,3-thiazol-2-yl)piperidin-2-yl]methyl]propan-2-amine
CID 62961398
1-(4-chloro-1,3-thiazol-2-yl)-2-methylpiperidin-3-ol
CID 131207459
N-[[1-(4-ethyl-1,3-thiazol-2-yl)piperidin-2-yl]methyl]cyclopropanamine
CID 62961582
2-[3-(chloromethyl)piperidin-1-yl]-4-ethyl-1,3-thiazole
CID 63392700
2-(3-chloro-2-methylpiperidin-1-yl)-4,5-dimethyl-1,3-thiazole
CID 131071079

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-methylpiperidin-1-yl)-4-ethyl-1,3-thiazole?
The IUPAC name of 2-(3-chloro-2-methylpiperidin-1-yl)-4-ethyl-1,3-thiazole (CID 131043281) is 2-(3-chloro-2-methylpiperidin-1-yl)-4-ethyl-1,3-thiazole.
What is the SMILES notation for 2-(3-chloro-2-methylpiperidin-1-yl)-4-ethyl-1,3-thiazole?
The canonical SMILES for 2-(3-chloro-2-methylpiperidin-1-yl)-4-ethyl-1,3-thiazole is CCc1csc(N2CCCC(Cl)C2C)n1.
What is the InChIKey of 2-(3-chloro-2-methylpiperidin-1-yl)-4-ethyl-1,3-thiazole?
The InChIKey is QWHDQCVIMVQKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2S/c1-3-9-7-15-11(13-9)14-6-4-5-10(12)8(14)2/h7-8,10H,3-6H2,1-2H3.
What are the key properties of 2-(3-chloro-2-methylpiperidin-1-yl)-4-ethyl-1,3-thiazole?
2-(3-chloro-2-methylpiperidin-1-yl)-4-ethyl-1,3-thiazole has a molecular weight of 244.79 g/mol, XLogP of 3.30, 2 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-ethyl-1,3-thiazole is sourced from PubChem (CID 131043281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).