2-methyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidin-4-one

C12H18N2OS — CID 106042327

IUPAC2-methyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidin-4-one
SMILESCc1nc(CCN2CCC(=O)CC2C)cs1
InChIInChI=1S/C12H18N2OS/c1-9-7-12(15)4-6-14(9)5-3-11-8-16-10(2)13-11/h8-9H,3-7H2,1-2H3
InChIKeyMFOPAZDWVKPUQO-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.05
Rot. Bonds3

About 2-methyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidin-4-one

2-methyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidin-4-one (PubChem CID 106042327) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 2-methyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidin-4-one.

Molecular Properties

Compound Name2-methyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidin-4-one
PubChem CID106042327
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name2-methyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidin-4-one
SMILESCc1nc(CCN2CCC(=O)CC2C)cs1
InChIInChI=1S/C12H18N2OS/c1-9-7-12(15)4-6-14(9)5-3-11-8-16-10(2)13-11/h8-9H,3-7H2,1-2H3
InChIKeyMFOPAZDWVKPUQO-UHFFFAOYSA-N
XLogP2.05
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidin-4-one 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-[2-(2,5-dimethylpiperazin-1-yl)ethyl]-2-methyl-1,3-thiazole
CID 106043580
2-methyl-4-[2-(8-methyl-6,9-diazaspiro[4.5]decan-9-yl)ethyl]-1,3-thiazole
CID 106043593
4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-2,6-dione
CID 106045753
4-[2-[(2R)-2-(4-fluorophenyl)azetidin-1-yl]ethyl]-2-methyl-1,3-thiazole
CID 124752649
3-(4-fluorophenyl)-4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazin-2-one
CID 91841721
2-methyl-4-(2-piperazin-1-ylethyl)-1,3-thiazole
CID 82065439
2-methyl-4-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]ethyl]-1,3-thiazole
CID 129059210
6-ethyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione
CID 114140334
3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79932817
(3aS,6aR)-4-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one
CID 98778785
4-[(2-methyl-4-oxopiperidin-1-yl)methyl]-3H-1,3-thiazol-2-one
CID 106381567
2-methyl-1-[2-(2-methylpiperidin-1-yl)ethyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111932138

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidin-4-one?
The IUPAC name of 2-methyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidin-4-one (CID 106042327) is 2-methyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidin-4-one.
What is the SMILES notation for 2-methyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidin-4-one?
The canonical SMILES for 2-methyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidin-4-one is Cc1nc(CCN2CCC(=O)CC2C)cs1.
What is the InChIKey of 2-methyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidin-4-one?
The InChIKey is MFOPAZDWVKPUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-9-7-12(15)4-6-14(9)5-3-11-8-16-10(2)13-11/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-methyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidin-4-one?
2-methyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidin-4-one has a molecular weight of 238.36 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidin-4-one is sourced from PubChem (CID 106042327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).