N-(5-heptan-4-yl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide

C14H19N3O2S — CID 976184

IUPACN-(5-heptan-4-yl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
SMILESCCCC(CCC)c1nnc(NC(=O)c2ccco2)s1
InChIInChI=1S/C14H19N3O2S/c1-3-6-10(7-4-2)13-16-17-14(20-13)15-12(18)11-8-5-9-19-11/h5,8-10H,3-4,6-7H2,1-2H3,(H,15,17,18)
InChIKeyDLOPPRRITAXBSY-UHFFFAOYSA-N
MW293.39 g/mol
LogP4.07
Rot. Bonds7

About N-(5-heptan-4-yl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide

N-(5-heptan-4-yl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide (PubChem CID 976184) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-(5-heptan-4-yl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(5-heptan-4-yl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
PubChem CID976184
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC NameN-(5-heptan-4-yl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
SMILESCCCC(CCC)c1nnc(NC(=O)c2ccco2)s1
InChIInChI=1S/C14H19N3O2S/c1-3-6-10(7-4-2)13-16-17-14(20-13)15-12(18)11-8-5-9-19-11/h5,8-10H,3-4,6-7H2,1-2H3,(H,15,17,18)
InChIKeyDLOPPRRITAXBSY-UHFFFAOYSA-N
XLogP4.07
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(4-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 744744
N-[5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 5336169
N-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 5930483
N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
CID 811287
N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 836941
N-(5-((2,4-dimethylphenoxy)methyl)-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 659708
N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-1-benzofuran-2-carboxamide
CID 672445
N-(5-(p-tolyl)-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 695191
N-(5-propyl-1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide
CID 733781
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 795340
5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 874241
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(4-fluorophenyl)furan-2-carboxamide
CID 1250258

Frequently Asked Questions

What is the IUPAC name of N-(5-heptan-4-yl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide?
The IUPAC name of N-(5-heptan-4-yl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide (CID 976184) is N-(5-heptan-4-yl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide.
What is the SMILES notation for N-(5-heptan-4-yl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide?
The canonical SMILES for N-(5-heptan-4-yl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide is CCCC(CCC)c1nnc(NC(=O)c2ccco2)s1.
What is the InChIKey of N-(5-heptan-4-yl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide?
The InChIKey is DLOPPRRITAXBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-3-6-10(7-4-2)13-16-17-14(20-13)15-12(18)11-8-5-9-19-11/h5,8-10H,3-4,6-7H2,1-2H3,(H,15,17,18).
What are the key properties of N-(5-heptan-4-yl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide?
N-(5-heptan-4-yl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide has a molecular weight of 293.39 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-heptan-4-yl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide is sourced from PubChem (CID 976184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).