2-[3-(diethylcarbamoyl)piperidin-1-yl]-1,3-thiazole-5-carboxamide

C14H22N4O2S — CID 117088482

IUPAC2-[3-(diethylcarbamoyl)piperidin-1-yl]-1,3-thiazole-5-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(c2ncc(C(N)=O)s2)C1
InChIInChI=1S/C14H22N4O2S/c1-3-17(4-2)13(20)10-6-5-7-18(9-10)14-16-8-11(21-14)12(15)19/h8,10H,3-7,9H2,1-2H3,(H2,15,19)
InChIKeyURQARXOMLMCMSX-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.33
Rot. Bonds5

About 2-[3-(diethylcarbamoyl)piperidin-1-yl]-1,3-thiazole-5-carboxamide

2-[3-(diethylcarbamoyl)piperidin-1-yl]-1,3-thiazole-5-carboxamide (PubChem CID 117088482) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is 2-[3-(diethylcarbamoyl)piperidin-1-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[3-(diethylcarbamoyl)piperidin-1-yl]-1,3-thiazole-5-carboxamide
PubChem CID117088482
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC Name2-[3-(diethylcarbamoyl)piperidin-1-yl]-1,3-thiazole-5-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(c2ncc(C(N)=O)s2)C1
InChIInChI=1S/C14H22N4O2S/c1-3-17(4-2)13(20)10-6-5-7-18(9-10)14-16-8-11(21-14)12(15)19/h8,10H,3-7,9H2,1-2H3,(H2,15,19)
InChIKeyURQARXOMLMCMSX-UHFFFAOYSA-N
XLogP1.33
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-cyclohexylpiperidine-3-carboxamide
CID 163368407
2-(4-acetylpiperazin-1-yl)-N-hydroxy-1,3-thiazole-5-carboxamide
CID 11558091
2-(4-Methyl-piperazin-1-yl)-thiazole-5-carboxylic acid hydroxyamide
CID 11572286
N-methyl-1-(1,3-thiazole-5-carbonyl)piperidine-3-carboxamide
CID 73439408
N-butyl-1-(7-oxo-6H-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)piperidine-3-carboxamide
CID 136166619
(3S)-N-(5-methyl-1,3-thiazol-2-yl)-6-oxopiperidine-3-carboxamide
CID 94176809
[2-(Ethylamino)-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
CID 97236851
5-{[4-(Cyclobutylmethyl)piperazin-1-yl]carbonyl}-1,3-thiazol-2-amine
CID 124211885
4-[(2-Amino-1,3-thiazol-5-yl)carbonyl]-1-butylpiperazin-2-one
CID 124215181
2-amino-N-[[(3R)-1-tert-butyl-5-oxopyrrolidin-3-yl]methyl]-N-methyl-1,3-thiazole-5-carboxamide
CID 164630570
2-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]-N-methyl-1,3-thiazole-5-carboxamide
CID 169149034
2-[3-fluoro-4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide
CID 175765572

Frequently Asked Questions

What is the IUPAC name of 2-[3-(diethylcarbamoyl)piperidin-1-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[3-(diethylcarbamoyl)piperidin-1-yl]-1,3-thiazole-5-carboxamide (CID 117088482) is 2-[3-(diethylcarbamoyl)piperidin-1-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[3-(diethylcarbamoyl)piperidin-1-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[3-(diethylcarbamoyl)piperidin-1-yl]-1,3-thiazole-5-carboxamide is CCN(CC)C(=O)C1CCCN(c2ncc(C(N)=O)s2)C1.
What is the InChIKey of 2-[3-(diethylcarbamoyl)piperidin-1-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is URQARXOMLMCMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-3-17(4-2)13(20)10-6-5-7-18(9-10)14-16-8-11(21-14)12(15)19/h8,10H,3-7,9H2,1-2H3,(H2,15,19).
What are the key properties of 2-[3-(diethylcarbamoyl)piperidin-1-yl]-1,3-thiazole-5-carboxamide?
2-[3-(diethylcarbamoyl)piperidin-1-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 310.42 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(diethylcarbamoyl)piperidin-1-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 117088482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).