1-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-N-methylpiperidine-1,3-dicarboxamide

C14H22N4O2S — CID 71867675

IUPAC1-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-N-methylpiperidine-1,3-dicarboxamide
SMILESCCc1cnc(CNC(=O)N2CCCC(C(=O)NC)C2)s1
InChIInChI=1S/C14H22N4O2S/c1-3-11-7-16-12(21-11)8-17-14(20)18-6-4-5-10(9-18)13(19)15-2/h7,10H,3-6,8-9H2,1-2H3,(H,15,19)(H,17,20)
InChIKeyPLMZZBQVABANHR-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.37
Rot. Bonds4

About 1-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-N-methylpiperidine-1,3-dicarboxamide

1-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-N-methylpiperidine-1,3-dicarboxamide (PubChem CID 71867675) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is 1-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-N-methylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-N-methylpiperidine-1,3-dicarboxamide
PubChem CID71867675
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC Name1-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-N-methylpiperidine-1,3-dicarboxamide
SMILESCCc1cnc(CNC(=O)N2CCCC(C(=O)NC)C2)s1
InChIInChI=1S/C14H22N4O2S/c1-3-11-7-16-12(21-11)8-17-14(20)18-6-4-5-10(9-18)13(19)15-2/h7,10H,3-6,8-9H2,1-2H3,(H,15,19)(H,17,20)
InChIKeyPLMZZBQVABANHR-UHFFFAOYSA-N
XLogP1.37
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-Cyclopentylpiperidin-4-yl)-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]urea
CID 71862982
5-[3-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 110106852
N-(1-(1-(L-alanyl)piperidin-4-yl)ethyl)-5-ethylthiazole-2-carboxamide
CID 132228070
(2S)-2-[2-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoylamino]-N,N-dimethylpropanamide
CID 86819563
(2S)-2-N-methyl-1-N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]pyrrolidine-1,2-dicarboxamide
CID 97242103
(3S)-3-(2-methylpropyl)-4-[(5-methyl-1,3-thiazol-2-yl)methyl]piperazin-2-one
CID 164632613
1-[1-(5-Ethyl-1,3-thiazol-2-yl)ethyl]-5-fluoro-1,3-diazinane-2,4,6-trione
CID 104217400
N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110717707
Piperazin-1-yl-[1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperidin-3-yl]methanone
CID 120836033
N-(2-aminoethyl)-1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide;hydrochloride
CID 120837257
N-(2-aminoethyl)-1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide
CID 120837258
N-(2-aminoethyl)-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidine-3-carboxamide
CID 120837338

Frequently Asked Questions

What is the IUPAC name of 1-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-N-methylpiperidine-1,3-dicarboxamide?
The IUPAC name of 1-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-N-methylpiperidine-1,3-dicarboxamide (CID 71867675) is 1-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-N-methylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-N-methylpiperidine-1,3-dicarboxamide?
The canonical SMILES for 1-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-N-methylpiperidine-1,3-dicarboxamide is CCc1cnc(CNC(=O)N2CCCC(C(=O)NC)C2)s1.
What is the InChIKey of 1-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-N-methylpiperidine-1,3-dicarboxamide?
The InChIKey is PLMZZBQVABANHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-3-11-7-16-12(21-11)8-17-14(20)18-6-4-5-10(9-18)13(19)15-2/h7,10H,3-6,8-9H2,1-2H3,(H,15,19)(H,17,20).
What are the key properties of 1-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-N-methylpiperidine-1,3-dicarboxamide?
1-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-N-methylpiperidine-1,3-dicarboxamide has a molecular weight of 310.42 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-N-methylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 71867675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).