1-(furan-2-carbonyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide

C16H20N4O3S — CID 6497496

IUPAC1-(furan-2-carbonyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
SMILESCCCc1nnc(NC(=O)C2CCN(C(=O)c3ccco3)CC2)s1
InChIInChI=1S/C16H20N4O3S/c1-2-4-13-18-19-16(24-13)17-14(21)11-6-8-20(9-7-11)15(22)12-5-3-10-23-12/h3,5,10-11H,2,4,6-9H2,1H3,(H,17,19,21)
InChIKeyUOKXMZQMNNSZTN-UHFFFAOYSA-N
MW348.43 g/mol
LogP2.57
Rot. Bonds5

About 1-(furan-2-carbonyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide

1-(furan-2-carbonyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide (PubChem CID 6497496) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is 1-(furan-2-carbonyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(furan-2-carbonyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
PubChem CID6497496
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC Name1-(furan-2-carbonyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
SMILESCCCc1nnc(NC(=O)C2CCN(C(=O)c3ccco3)CC2)s1
InChIInChI=1S/C16H20N4O3S/c1-2-4-13-18-19-16(24-13)17-14(21)11-6-8-20(9-7-11)15(22)12-5-3-10-23-12/h3,5,10-11H,2,4,6-9H2,1H3,(H,17,19,21)
InChIKeyUOKXMZQMNNSZTN-UHFFFAOYSA-N
XLogP2.57
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 5336169
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 795340
N-[5-(1-propylbutyl)-1,3,4-thiadiazol-2-yl]-2-furamide
CID 976184
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 6497494
1-(furan-2-carbonyl)-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 6497506
N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 663488
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-furancarboxamide
CID 665745
N-(5-benzyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 684928
N-(5-phenethyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 811280
N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-furancarboxamide
CID 1409689
N-Furan-2-ylmethyl-2-methoxy-N-[5-(tetrahydro-furan-3-yl)-[1,3,4]thiadiazol-2-yl]-acetamide
CID 654870
N-[5-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 655995

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-carbonyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(furan-2-carbonyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide (CID 6497496) is 1-(furan-2-carbonyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(furan-2-carbonyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(furan-2-carbonyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide is CCCc1nnc(NC(=O)C2CCN(C(=O)c3ccco3)CC2)s1.
What is the InChIKey of 1-(furan-2-carbonyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is UOKXMZQMNNSZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-2-4-13-18-19-16(24-13)17-14(21)11-6-8-20(9-7-11)15(22)12-5-3-10-23-12/h3,5,10-11H,2,4,6-9H2,1H3,(H,17,19,21).
What are the key properties of 1-(furan-2-carbonyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
1-(furan-2-carbonyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 348.43 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-carbonyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 6497496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).