1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxamide

C14H17N3OS2 — CID 53498925

IUPAC1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxamide
SMILESNC(=O)C1CCCCN1Cc1csc(-c2ccsc2)n1
InChIInChI=1S/C14H17N3OS2/c15-13(18)12-3-1-2-5-17(12)7-11-9-20-14(16-11)10-4-6-19-8-10/h4,6,8-9,12H,1-3,5,7H2,(H2,15,18)
InChIKeyWNBILLCRNALSLR-UHFFFAOYSA-N
MW307.44 g/mol
LogP2.71
Rot. Bonds4

About 1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxamide

1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxamide (PubChem CID 53498925) has the molecular formula C14H17N3OS2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxamide
PubChem CID53498925
Molecular FormulaC14H17N3OS2
Molecular Weight307.44 g/mol
Exact Mass307.08
IUPAC Name1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxamide
SMILESNC(=O)C1CCCCN1Cc1csc(-c2ccsc2)n1
InChIInChI=1S/C14H17N3OS2/c15-13(18)12-3-1-2-5-17(12)7-11-9-20-14(16-11)10-4-6-19-8-10/h4,6,8-9,12H,1-3,5,7H2,(H2,15,18)
InChIKeyWNBILLCRNALSLR-UHFFFAOYSA-N
XLogP2.71
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxamide
CID 94014669
(2R)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119913874
1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 154828970
(2S)-1-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl]piperidine-2-carboxamide
CID 95161172
[(2R)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 62734410
[(2R,3S)-2-(hydroxymethyl)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol
CID 164632402
[(2S,3R)-2-(hydroxymethyl)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol
CID 138038005
4-methyl-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxylic acid
CID 114426304
(2S,3aS,7aS)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 125148477
2-thiophen-3-yl-4-[[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]methyl]-1,3-thiazole
CID 31313736
1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-ol
CID 55130969
(2R)-1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 119914241

Frequently Asked Questions

What is the IUPAC name of 1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxamide?
The IUPAC name of 1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxamide (CID 53498925) is 1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxamide?
The canonical SMILES for 1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxamide is NC(=O)C1CCCCN1Cc1csc(-c2ccsc2)n1.
What is the InChIKey of 1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxamide?
The InChIKey is WNBILLCRNALSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS2/c15-13(18)12-3-1-2-5-17(12)7-11-9-20-14(16-11)10-4-6-19-8-10/h4,6,8-9,12H,1-3,5,7H2,(H2,15,18).
What are the key properties of 1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxamide?
1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxamide has a molecular weight of 307.44 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxamide is sourced from PubChem (CID 53498925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).