2-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-N-prop-2-ynylacetamide

C16H23N3OS — CID 71873650

IUPAC2-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)CN1CCCC(c2nc(C(C)C)cs2)C1
InChIInChI=1S/C16H23N3OS/c1-4-7-17-15(20)10-19-8-5-6-13(9-19)16-18-14(11-21-16)12(2)3/h1,11-13H,5-10H2,2-3H3,(H,17,20)
InChIKeyQSVDJJLLCKSPMB-UHFFFAOYSA-N
MW305.45 g/mol
LogP2.20
Rot. Bonds5

About 2-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-N-prop-2-ynylacetamide

2-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-N-prop-2-ynylacetamide (PubChem CID 71873650) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is 2-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-N-prop-2-ynylacetamide.

Molecular Properties

Compound Name2-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-N-prop-2-ynylacetamide
PubChem CID71873650
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC Name2-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)CN1CCCC(c2nc(C(C)C)cs2)C1
InChIInChI=1S/C16H23N3OS/c1-4-7-17-15(20)10-19-8-5-6-13(9-19)16-18-14(11-21-16)12(2)3/h1,11-13H,5-10H2,2-3H3,(H,17,20)
InChIKeyQSVDJJLLCKSPMB-UHFFFAOYSA-N
XLogP2.20
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-N-prop-2-ynylacetamide 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

(3S)-N-methyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 95991014
4-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]butanoic acid
CID 119138147
1-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 53016835
1-[(3S)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
CID 95777712
2-[3-(hydroxymethyl)piperidin-1-yl]-N-prop-2-ynylacetamide
CID 60672218
(1-aminocyclopropyl)-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone;dihydrochloride
CID 119893096
4-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carbonyl]benzoic acid
CID 119186414
1-[(3S)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
CID 95777676
3-fluoro-4-[[(3S)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]benzoic acid
CID 164642848
2-chloro-4-[[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]methyl]benzoic acid
CID 136550588
1-[2-oxo-2-(prop-2-ynylamino)ethyl]piperidine-3-carboxamide
CID 78913114
2-(4-aminophenyl)-1-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 119893107

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-N-prop-2-ynylacetamide?
The IUPAC name of 2-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-N-prop-2-ynylacetamide (CID 71873650) is 2-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-N-prop-2-ynylacetamide.
What is the SMILES notation for 2-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-N-prop-2-ynylacetamide?
The canonical SMILES for 2-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-N-prop-2-ynylacetamide is C#CCNC(=O)CN1CCCC(c2nc(C(C)C)cs2)C1.
What is the InChIKey of 2-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-N-prop-2-ynylacetamide?
The InChIKey is QSVDJJLLCKSPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-4-7-17-15(20)10-19-8-5-6-13(9-19)16-18-14(11-21-16)12(2)3/h1,11-13H,5-10H2,2-3H3,(H,17,20).
What are the key properties of 2-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-N-prop-2-ynylacetamide?
2-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-N-prop-2-ynylacetamide has a molecular weight of 305.45 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-N-prop-2-ynylacetamide is sourced from PubChem (CID 71873650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).