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

C19H18N4O3S — CID 27831080

IUPAC1-(furan-2-carbonyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
SMILESO=C(Nc1nnc(-c2ccccc2)s1)C1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C19H18N4O3S/c24-16(20-19-22-21-17(27-19)14-5-2-1-3-6-14)13-8-10-23(11-9-13)18(25)15-7-4-12-26-15/h1-7,12-13H,8-11H2,(H,20,22,24)
InChIKeyVCUMIUDLCQSFEQ-UHFFFAOYSA-N
MW382.44 g/mol
LogP3.29
Rot. Bonds4

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

1-(furan-2-carbonyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide (PubChem CID 27831080) has the molecular formula C19H18N4O3S and a molecular weight of 382.44 g/mol. Its IUPAC name is 1-(furan-2-carbonyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(furan-2-carbonyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
PubChem CID27831080
Molecular FormulaC19H18N4O3S
Molecular Weight382.44 g/mol
Exact Mass382.11
IUPAC Name1-(furan-2-carbonyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
SMILESO=C(Nc1nnc(-c2ccccc2)s1)C1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C19H18N4O3S/c24-16(20-19-22-21-17(27-19)14-5-2-1-3-6-14)13-8-10-23(11-9-13)18(25)15-7-4-12-26-15/h1-7,12-13H,8-11H2,(H,20,22,24)
InChIKeyVCUMIUDLCQSFEQ-UHFFFAOYSA-N
XLogP3.29
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(furan-2-carbonyl)-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 16564266
1-(furan-3-carbonyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 35713952
N-[5-(benzylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 6497508
1-(furan-2-carbonyl)-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 39189511
1-(furan-2-carbonyl)-N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 6463563
1-(furan-2-carbonyl)-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-4-carboxamide
CID 25459482
1-(furan-2-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide
CID 17081700
tert-butyl 4-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]piperidine-1-carboxylate
CID 60600812
1-[(E)-3-phenylprop-2-enoyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 17491972
1-cyano-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 118981045
[4-[[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]piperidin-1-yl]-(furan-2-yl)methanone
CID 133468013
methyl 2-[[1-(furan-2-carbonyl)piperidine-4-carbonyl]amino]-1,3-thiazole-5-carboxylate
CID 18103775

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-carbonyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(furan-2-carbonyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide (CID 27831080) is 1-(furan-2-carbonyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(furan-2-carbonyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(furan-2-carbonyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide is O=C(Nc1nnc(-c2ccccc2)s1)C1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 1-(furan-2-carbonyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is VCUMIUDLCQSFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S/c24-16(20-19-22-21-17(27-19)14-5-2-1-3-6-14)13-8-10-23(11-9-13)18(25)15-7-4-12-26-15/h1-7,12-13H,8-11H2,(H,20,22,24).
What are the key properties of 1-(furan-2-carbonyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
1-(furan-2-carbonyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 382.44 g/mol, XLogP of 3.29, 4 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-phenyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 27831080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).