N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide

C11H15N3O2S — CID 78941991

IUPACN-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCc1ncsc1CNC(=O)C1CCC(=O)NC1
InChIInChI=1S/C11H15N3O2S/c1-7-9(17-6-14-7)5-13-11(16)8-2-3-10(15)12-4-8/h6,8H,2-5H2,1H3,(H,12,15)(H,13,16)
InChIKeyPTXMTSFFYGUNQH-UHFFFAOYSA-N
MW253.33 g/mol
LogP0.59
Rot. Bonds3

About N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide

N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 78941991) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID78941991
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC NameN-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCc1ncsc1CNC(=O)C1CCC(=O)NC1
InChIInChI=1S/C11H15N3O2S/c1-7-9(17-6-14-7)5-13-11(16)8-2-3-10(15)12-4-8/h6,8H,2-5H2,1H3,(H,12,15)(H,13,16)
InChIKeyPTXMTSFFYGUNQH-UHFFFAOYSA-N
XLogP0.59
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide
CID 136529761
N-[(6-methyl-3-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide
CID 113223600
6-oxo-N-(1H-pyrazol-5-ylmethyl)piperidine-3-carboxamide
CID 112731393
N-[(2-methylpyrazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 113223533
(3S)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-6-oxopiperidine-3-carboxamide
CID 126443586
2-amino-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide
CID 64822507
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-6-oxopiperidine-3-carboxamide
CID 122254077
5-oxo-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-3-carboxamide
CID 78983445
1-(2-chlorophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 136523864
N-[(2R)-2-hydroxypropyl]-6-oxopiperidine-3-carboxamide
CID 103884751
N-(2-methylprop-2-enyl)-6-oxopiperidine-3-carboxamide
CID 114618525
(3R)-N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide
CID 94170855

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide (CID 78941991) is N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide is Cc1ncsc1CNC(=O)C1CCC(=O)NC1.
What is the InChIKey of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is PTXMTSFFYGUNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-7-9(17-6-14-7)5-13-11(16)8-2-3-10(15)12-4-8/h6,8H,2-5H2,1H3,(H,12,15)(H,13,16).
What are the key properties of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide?
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 253.33 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 78941991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).