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

C18H24N4O3S — CID 6497506

IUPAC1-(furan-2-carbonyl)-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
SMILESCCC(C)(C)c1nnc(NC(=O)C2CCN(C(=O)c3ccco3)CC2)s1
InChIInChI=1S/C18H24N4O3S/c1-4-18(2,3)16-20-21-17(26-16)19-14(23)12-7-9-22(10-8-12)15(24)13-6-5-11-25-13/h5-6,11-12H,4,7-10H2,1-3H3,(H,19,21,23)
InChIKeyQKQRTSUGAVZMEK-UHFFFAOYSA-N
MW376.48 g/mol
LogP3.31
Rot. Bonds5

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

1-(furan-2-carbonyl)-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide (PubChem CID 6497506) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is 1-(furan-2-carbonyl)-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(furan-2-carbonyl)-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
PubChem CID6497506
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC Name1-(furan-2-carbonyl)-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
SMILESCCC(C)(C)c1nnc(NC(=O)C2CCN(C(=O)c3ccco3)CC2)s1
InChIInChI=1S/C18H24N4O3S/c1-4-18(2,3)16-20-21-17(26-16)19-14(23)12-7-9-22(10-8-12)15(24)13-6-5-11-25-13/h5-6,11-12H,4,7-10H2,1-3H3,(H,19,21,23)
InChIKeyQKQRTSUGAVZMEK-UHFFFAOYSA-N
XLogP3.31
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-carbonyl)-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-(furan-2-carbonyl)-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide (CID 6497506) is 1-(furan-2-carbonyl)-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(furan-2-carbonyl)-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-(furan-2-carbonyl)-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide is CCC(C)(C)c1nnc(NC(=O)C2CCN(C(=O)c3ccco3)CC2)s1.
What is the InChIKey of 1-(furan-2-carbonyl)-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?
The InChIKey is QKQRTSUGAVZMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-4-18(2,3)16-20-21-17(26-16)19-14(23)12-7-9-22(10-8-12)15(24)13-6-5-11-25-13/h5-6,11-12H,4,7-10H2,1-3H3,(H,19,21,23).
What are the key properties of 1-(furan-2-carbonyl)-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?
1-(furan-2-carbonyl)-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 376.48 g/mol, XLogP of 3.31, 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-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 6497506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).