1-[4-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone

C13H20N2OS — CID 53016833

IUPAC1-[4-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2nc(C(C)C)cs2)CC1
InChIInChI=1S/C13H20N2OS/c1-9(2)12-8-17-13(14-12)11-4-6-15(7-5-11)10(3)16/h8-9,11H,4-7H2,1-3H3
InChIKeyCEBCTHXDELKYBI-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.99
Rot. Bonds2

About 1-[4-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone

1-[4-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone (PubChem CID 53016833) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 1-[4-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
PubChem CID53016833
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name1-[4-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2nc(C(C)C)cs2)CC1
InChIInChI=1S/C13H20N2OS/c1-9(2)12-8-17-13(14-12)11-4-6-15(7-5-11)10(3)16/h8-9,11H,4-7H2,1-3H3
InChIKeyCEBCTHXDELKYBI-UHFFFAOYSA-N
XLogP2.99
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone 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-[4-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone (CID 53016833) is 1-[4-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone is CC(=O)N1CCC(c2nc(C(C)C)cs2)CC1.
What is the InChIKey of 1-[4-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
The InChIKey is CEBCTHXDELKYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-9(2)12-8-17-13(14-12)11-4-6-15(7-5-11)10(3)16/h8-9,11H,4-7H2,1-3H3.
What are the key properties of 1-[4-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
1-[4-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone has a molecular weight of 252.38 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 53016833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).