1-[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide

C14H15N3O3S — CID 119125746

IUPAC1-[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2csc(-c3ccoc3)n2)CC1
InChIInChI=1S/C14H15N3O3S/c15-12(18)9-1-4-17(5-2-9)14(19)11-8-21-13(16-11)10-3-6-20-7-10/h3,6-9H,1-2,4-5H2,(H2,15,18)
InChIKeyOCJKHUGDWWGPKD-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.74
Rot. Bonds3

About 1-[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide

1-[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide (PubChem CID 119125746) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 1-[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide
PubChem CID119125746
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name1-[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2csc(-c3ccoc3)n2)CC1
InChIInChI=1S/C14H15N3O3S/c15-12(18)9-1-4-17(5-2-9)14(19)11-8-21-13(16-11)10-3-6-20-7-10/h3,6-9H,1-2,4-5H2,(H2,15,18)
InChIKeyOCJKHUGDWWGPKD-UHFFFAOYSA-N
XLogP1.74
TPSA89.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 124703697
[4-(aminomethyl)piperidin-1-yl]-[2-(furan-3-yl)-1,3-thiazol-4-yl]methanone;dihydrochloride
CID 119424072
1,4-diazepan-1-yl-[2-(furan-3-yl)-1,3-thiazol-4-yl]methanone
CID 119418759
[2-(furan-3-yl)-1,3-thiazol-4-yl]-[(1S,6S)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone
CID 124776574
[2-(furan-3-yl)-1,3-thiazol-4-yl]-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone
CID 120833329
[1-(2-phenyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 51286859
azepan-1-yl-[1-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)piperidin-4-yl]methanone
CID 8548115
azepan-1-yl-[1-[2-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]methanone
CID 17392352
1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine-4-carboxamide
CID 1093757
[2-(furan-3-yl)-1,3-thiazol-4-yl]-[1-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 126768282
N-[2-(aminomethyl)cyclohexyl]-2-(furan-3-yl)-1,3-thiazole-4-carboxamide
CID 119612533
1-[2-(3,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxamide
CID 60600926

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide (CID 119125746) is 1-[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)c2csc(-c3ccoc3)n2)CC1.
What is the InChIKey of 1-[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide?
The InChIKey is OCJKHUGDWWGPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c15-12(18)9-1-4-17(5-2-9)14(19)11-8-21-13(16-11)10-3-6-20-7-10/h3,6-9H,1-2,4-5H2,(H2,15,18).
What are the key properties of 1-[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide?
1-[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide has a molecular weight of 305.36 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 119125746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).