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

C15H24N4O2S2 — CID 70742352

IUPAC1-(2-amino-2-oxoethyl)-N-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]piperidine-4-carboxamide
SMILESCSCc1nc(CCNC(=O)C2CCN(CC(N)=O)CC2)cs1
InChIInChI=1S/C15H24N4O2S2/c1-22-10-14-18-12(9-23-14)2-5-17-15(21)11-3-6-19(7-4-11)8-13(16)20/h9,11H,2-8,10H2,1H3,(H2,16,20)(H,17,21)
InChIKeyOFYFBANUGPMVGX-UHFFFAOYSA-N
MW356.52 g/mol
LogP0.86
Rot. Bonds8

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

1-(2-amino-2-oxoethyl)-N-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]piperidine-4-carboxamide (PubChem CID 70742352) has the molecular formula C15H24N4O2S2 and a molecular weight of 356.52 g/mol. Its IUPAC name is 1-(2-amino-2-oxoethyl)-N-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-amino-2-oxoethyl)-N-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]piperidine-4-carboxamide
PubChem CID70742352
Molecular FormulaC15H24N4O2S2
Molecular Weight356.52 g/mol
Exact Mass356.13
IUPAC Name1-(2-amino-2-oxoethyl)-N-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]piperidine-4-carboxamide
SMILESCSCc1nc(CCNC(=O)C2CCN(CC(N)=O)CC2)cs1
InChIInChI=1S/C15H24N4O2S2/c1-22-10-14-18-12(9-23-14)2-5-17-15(21)11-3-6-19(7-4-11)8-13(16)20/h9,11H,2-8,10H2,1H3,(H2,16,20)(H,17,21)
InChIKeyOFYFBANUGPMVGX-UHFFFAOYSA-N
XLogP0.86
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.52
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(2-amino-2-oxoethyl)-N-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]piperidine-4-carboxamide with MolForge

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Related Compounds

(4S)-N-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]-2,3,4,5-tetrahydro-1-benzoxepine-4-carboxamide
CID 97269470
N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 56585989
4-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
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N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]cyclobutanecarboxamide
CID 110398101
1-(2-amino-2-oxoethyl)-N-(3-methylbutyl)piperidine-4-carboxamide
CID 16909145
1-(2-amino-2-oxoethyl)-N-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxamide
CID 16909150
1-(4-methylphenyl)-3-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]urea
CID 72887007
2-(2-aminoethyl)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 66389073
1-(4-bromobenzoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
CID 20974814
1-cyclopropyl-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 70772226
N-(2-aminoethyl)-1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide
CID 63252759
1-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]urea
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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-oxoethyl)-N-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2-amino-2-oxoethyl)-N-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]piperidine-4-carboxamide (CID 70742352) is 1-(2-amino-2-oxoethyl)-N-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-amino-2-oxoethyl)-N-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-amino-2-oxoethyl)-N-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]piperidine-4-carboxamide is CSCc1nc(CCNC(=O)C2CCN(CC(N)=O)CC2)cs1.
What is the InChIKey of 1-(2-amino-2-oxoethyl)-N-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]piperidine-4-carboxamide?
The InChIKey is OFYFBANUGPMVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2S2/c1-22-10-14-18-12(9-23-14)2-5-17-15(21)11-3-6-19(7-4-11)8-13(16)20/h9,11H,2-8,10H2,1H3,(H2,16,20)(H,17,21).
What are the key properties of 1-(2-amino-2-oxoethyl)-N-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]piperidine-4-carboxamide?
1-(2-amino-2-oxoethyl)-N-[2-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]piperidine-4-carboxamide has a molecular weight of 356.52 g/mol, XLogP of 0.86, 8 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-[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 70742352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).