N-[1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide

C12H19N3OS — CID 115642007

IUPACN-[1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide
SMILESCCC(NC(=O)N1CCCCC1)c1nccs1
InChIInChI=1S/C12H19N3OS/c1-2-10(11-13-6-9-17-11)14-12(16)15-7-4-3-5-8-15/h6,9-10H,2-5,7-8H2,1H3,(H,14,16)
InChIKeyLKCPSNIUPOWEOA-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.79
Rot. Bonds3

About N-[1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide

N-[1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide (PubChem CID 115642007) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is N-[1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide
PubChem CID115642007
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC NameN-[1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide
SMILESCCC(NC(=O)N1CCCCC1)c1nccs1
InChIInChI=1S/C12H19N3OS/c1-2-10(11-13-6-9-17-11)14-12(16)15-7-4-3-5-8-15/h6,9-10H,2-5,7-8H2,1H3,(H,14,16)
InChIKeyLKCPSNIUPOWEOA-UHFFFAOYSA-N
XLogP2.79
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-N-[1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide
CID 111439100
N-[(1R)-1-(1,3-thiazol-2-yl)propyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide
CID 124596949
5,8-difluoro-N-[1-(1,3-thiazol-2-yl)propyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 71922981
4-methyl-1-[1-(1,3-thiazol-2-yl)propylcarbamoyl]piperidine-3-carboxylic acid
CID 154762701
4-[(1-methylimidazol-2-yl)methyl]-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]piperazine-1-carboxamide
CID 124596959
(3S)-3-(4-methylpyrazol-1-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide
CID 124596974
4-(1-ethylpyrazol-4-yl)-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide
CID 124596967
4-(2,2-difluoroethyl)-3-ethyl-N-[1-(1,3-thiazol-2-yl)propyl]piperazine-1-carboxamide
CID 75437484
1-propan-2-yl-N-[1-(1,3-thiazol-2-yl)propyl]piperidine-4-carboxamide
CID 72871127
2-cyclopentyl-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]acetamide
CID 99630332
(3S)-3-pyridin-3-yloxy-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboxamide
CID 97096563
1-(aminomethyl)-N-[1-(1,3-thiazol-2-yl)propyl]cyclohexane-1-carboxamide
CID 115437914

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide?
The IUPAC name of N-[1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide (CID 115642007) is N-[1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide?
The canonical SMILES for N-[1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide is CCC(NC(=O)N1CCCCC1)c1nccs1.
What is the InChIKey of N-[1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide?
The InChIKey is LKCPSNIUPOWEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-2-10(11-13-6-9-17-11)14-12(16)15-7-4-3-5-8-15/h6,9-10H,2-5,7-8H2,1H3,(H,14,16).
What are the key properties of N-[1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide?
N-[1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide has a molecular weight of 253.37 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide is sourced from PubChem (CID 115642007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).