1-(2-amino-2-oxoethyl)-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]piperidine-3-carboxamide

C14H22N4O2S2 — CID 70788417

IUPAC1-(2-amino-2-oxoethyl)-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]piperidine-3-carboxamide
SMILESCSCc1nc(CNC(=O)C2CCCN(CC(N)=O)C2)cs1
InChIInChI=1S/C14H22N4O2S2/c1-21-9-13-17-11(8-22-13)5-16-14(20)10-3-2-4-18(6-10)7-12(15)19/h8,10H,2-7,9H2,1H3,(H2,15,19)(H,16,20)
InChIKeyHJORPCHKLIYZJE-UHFFFAOYSA-N
MW342.49 g/mol
LogP0.82
Rot. Bonds7

About 1-(2-amino-2-oxoethyl)-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]piperidine-3-carboxamide

1-(2-amino-2-oxoethyl)-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]piperidine-3-carboxamide (PubChem CID 70788417) has the molecular formula C14H22N4O2S2 and a molecular weight of 342.49 g/mol. Its IUPAC name is 1-(2-amino-2-oxoethyl)-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-amino-2-oxoethyl)-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]piperidine-3-carboxamide
PubChem CID70788417
Molecular FormulaC14H22N4O2S2
Molecular Weight342.49 g/mol
Exact Mass342.12
IUPAC Name1-(2-amino-2-oxoethyl)-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]piperidine-3-carboxamide
SMILESCSCc1nc(CNC(=O)C2CCCN(CC(N)=O)C2)cs1
InChIInChI=1S/C14H22N4O2S2/c1-21-9-13-17-11(8-22-13)5-16-14(20)10-3-2-4-18(6-10)7-12(15)19/h8,10H,2-7,9H2,1H3,(H2,15,19)(H,16,20)
InChIKeyHJORPCHKLIYZJE-UHFFFAOYSA-N
XLogP0.82
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(2-amino-2-oxoethyl)-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]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-(2-amino-2-oxoethyl)-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]piperidine-3-carboxamide?
The IUPAC name of 1-(2-amino-2-oxoethyl)-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]piperidine-3-carboxamide (CID 70788417) is 1-(2-amino-2-oxoethyl)-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(2-amino-2-oxoethyl)-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(2-amino-2-oxoethyl)-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]piperidine-3-carboxamide is CSCc1nc(CNC(=O)C2CCCN(CC(N)=O)C2)cs1.
What is the InChIKey of 1-(2-amino-2-oxoethyl)-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]piperidine-3-carboxamide?
The InChIKey is HJORPCHKLIYZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S2/c1-21-9-13-17-11(8-22-13)5-16-14(20)10-3-2-4-18(6-10)7-12(15)19/h8,10H,2-7,9H2,1H3,(H2,15,19)(H,16,20).
What are the key properties of 1-(2-amino-2-oxoethyl)-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]piperidine-3-carboxamide?
1-(2-amino-2-oxoethyl)-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]piperidine-3-carboxamide has a molecular weight of 342.49 g/mol, XLogP of 0.82, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-oxoethyl)-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 70788417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).