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

C15H18N4O3S — CID 6497494

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(furan-2-carbonyl)piperidine-4-carboxamide
SMILESCCc1nnc(NC(=O)C2CCN(C(=O)c3ccco3)CC2)s1
InChIInChI=1S/C15H18N4O3S/c1-2-12-17-18-15(23-12)16-13(20)10-5-7-19(8-6-10)14(21)11-4-3-9-22-11/h3-4,9-10H,2,5-8H2,1H3,(H,16,18,20)
InChIKeyWWZHRJDMAZBTGY-UHFFFAOYSA-N
MW334.40 g/mol
LogP2.18
Rot. Bonds4

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

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(furan-2-carbonyl)piperidine-4-carboxamide (PubChem CID 6497494) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(furan-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(furan-2-carbonyl)piperidine-4-carboxamide
PubChem CID6497494
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(furan-2-carbonyl)piperidine-4-carboxamide
SMILESCCc1nnc(NC(=O)C2CCN(C(=O)c3ccco3)CC2)s1
InChIInChI=1S/C15H18N4O3S/c1-2-12-17-18-15(23-12)16-13(20)10-5-7-19(8-6-10)14(21)11-4-3-9-22-11/h3-4,9-10H,2,5-8H2,1H3,(H,16,18,20)
InChIKeyWWZHRJDMAZBTGY-UHFFFAOYSA-N
XLogP2.18
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.18
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-(p-tolyl)-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 695191
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
1-(furan-2-ylcarbonyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 6497496
1-(furan-2-carbonyl)-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 6497506
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 N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(furan-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(furan-2-carbonyl)piperidine-4-carboxamide (CID 6497494) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(furan-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(furan-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(furan-2-carbonyl)piperidine-4-carboxamide is CCc1nnc(NC(=O)C2CCN(C(=O)c3ccco3)CC2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(furan-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is WWZHRJDMAZBTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-2-12-17-18-15(23-12)16-13(20)10-5-7-19(8-6-10)14(21)11-4-3-9-22-11/h3-4,9-10H,2,5-8H2,1H3,(H,16,18,20).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(furan-2-carbonyl)piperidine-4-carboxamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(furan-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 334.40 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(furan-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 6497494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).