1-acetyl-N-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]piperidine-3-carboxamide

C15H23N3O2S2 — CID 72838132

IUPAC1-acetyl-N-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]piperidine-3-carboxamide
SMILESCSCc1nc(CCNC(=O)C2CCCN(C(C)=O)C2)cs1
InChIInChI=1S/C15H23N3O2S2/c1-11(19)18-7-3-4-12(8-18)15(20)16-6-5-13-9-22-14(17-13)10-21-2/h9,12H,3-8,10H2,1-2H3,(H,16,20)
InChIKeyJIEYQZGELCNVDP-UHFFFAOYSA-N
MW341.50 g/mol
LogP1.92
Rot. Bonds6

About 1-acetyl-N-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]piperidine-3-carboxamide

1-acetyl-N-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]piperidine-3-carboxamide (PubChem CID 72838132) has the molecular formula C15H23N3O2S2 and a molecular weight of 341.50 g/mol. Its IUPAC name is 1-acetyl-N-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]piperidine-3-carboxamide
PubChem CID72838132
Molecular FormulaC15H23N3O2S2
Molecular Weight341.50 g/mol
Exact Mass341.12
IUPAC Name1-acetyl-N-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]piperidine-3-carboxamide
SMILESCSCc1nc(CCNC(=O)C2CCCN(C(C)=O)C2)cs1
InChIInChI=1S/C15H23N3O2S2/c1-11(19)18-7-3-4-12(8-18)15(20)16-6-5-13-9-22-14(17-13)10-21-2/h9,12H,3-8,10H2,1-2H3,(H,16,20)
InChIKeyJIEYQZGELCNVDP-UHFFFAOYSA-N
XLogP1.92
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-acetyl-N-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]piperidine-3-carboxamide 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-acetyl-N-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-acetyl-N-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]piperidine-3-carboxamide (CID 72838132) is 1-acetyl-N-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-acetyl-N-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]piperidine-3-carboxamide is CSCc1nc(CCNC(=O)C2CCCN(C(C)=O)C2)cs1.
What is the InChIKey of 1-acetyl-N-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]piperidine-3-carboxamide?
The InChIKey is JIEYQZGELCNVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S2/c1-11(19)18-7-3-4-12(8-18)15(20)16-6-5-13-9-22-14(17-13)10-21-2/h9,12H,3-8,10H2,1-2H3,(H,16,20).
What are the key properties of 1-acetyl-N-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]piperidine-3-carboxamide?
1-acetyl-N-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]piperidine-3-carboxamide has a molecular weight of 341.50 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 72838132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).