1-(2,5-dimethyl-1,3-thiazol-4-yl)-2-piperidin-2-ylethanone

C12H18N2OS — CID 79537354

IUPAC1-(2,5-dimethyl-1,3-thiazol-4-yl)-2-piperidin-2-ylethanone
SMILESCc1nc(C(=O)CC2CCCCN2)c(C)s1
InChIInChI=1S/C12H18N2OS/c1-8-12(14-9(2)16-8)11(15)7-10-5-3-4-6-13-10/h10,13H,3-7H2,1-2H3
InChIKeyXKRCZEZAAPJKCF-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.47
Rot. Bonds3

About 1-(2,5-dimethyl-1,3-thiazol-4-yl)-2-piperidin-2-ylethanone

1-(2,5-dimethyl-1,3-thiazol-4-yl)-2-piperidin-2-ylethanone (PubChem CID 79537354) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 1-(2,5-dimethyl-1,3-thiazol-4-yl)-2-piperidin-2-ylethanone.

Molecular Properties

Compound Name1-(2,5-dimethyl-1,3-thiazol-4-yl)-2-piperidin-2-ylethanone
PubChem CID79537354
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name1-(2,5-dimethyl-1,3-thiazol-4-yl)-2-piperidin-2-ylethanone
SMILESCc1nc(C(=O)CC2CCCCN2)c(C)s1
InChIInChI=1S/C12H18N2OS/c1-8-12(14-9(2)16-8)11(15)7-10-5-3-4-6-13-10/h10,13H,3-7H2,1-2H3
InChIKeyXKRCZEZAAPJKCF-UHFFFAOYSA-N
XLogP2.47
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,5-dimethyl-1,3-thiazol-4-yl)-2-piperidin-2-ylethanone 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 1-(2,5-dimethyl-1,3-thiazol-4-yl)-2-piperidin-2-ylethanone?
The IUPAC name of 1-(2,5-dimethyl-1,3-thiazol-4-yl)-2-piperidin-2-ylethanone (CID 79537354) is 1-(2,5-dimethyl-1,3-thiazol-4-yl)-2-piperidin-2-ylethanone.
What is the SMILES notation for 1-(2,5-dimethyl-1,3-thiazol-4-yl)-2-piperidin-2-ylethanone?
The canonical SMILES for 1-(2,5-dimethyl-1,3-thiazol-4-yl)-2-piperidin-2-ylethanone is Cc1nc(C(=O)CC2CCCCN2)c(C)s1.
What is the InChIKey of 1-(2,5-dimethyl-1,3-thiazol-4-yl)-2-piperidin-2-ylethanone?
The InChIKey is XKRCZEZAAPJKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-8-12(14-9(2)16-8)11(15)7-10-5-3-4-6-13-10/h10,13H,3-7H2,1-2H3.
What are the key properties of 1-(2,5-dimethyl-1,3-thiazol-4-yl)-2-piperidin-2-ylethanone?
1-(2,5-dimethyl-1,3-thiazol-4-yl)-2-piperidin-2-ylethanone has a molecular weight of 238.36 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethyl-1,3-thiazol-4-yl)-2-piperidin-2-ylethanone is sourced from PubChem (CID 79537354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).