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

C12H15N3O2S — CID 975682

IUPACN-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
SMILESCCC(CC)c1nnc(NC(=O)c2ccco2)s1
InChIInChI=1S/C12H15N3O2S/c1-3-8(4-2)11-14-15-12(18-11)13-10(16)9-6-5-7-17-9/h5-8H,3-4H2,1-2H3,(H,13,15,16)
InChIKeyULQMNFNLWKDCRD-UHFFFAOYSA-N
MW265.34 g/mol
LogP3.29
Rot. Bonds5

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

N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide (PubChem CID 975682) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
PubChem CID975682
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC NameN-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
SMILESCCC(CC)c1nnc(NC(=O)c2ccco2)s1
InChIInChI=1S/C12H15N3O2S/c1-3-8(4-2)11-14-15-12(18-11)13-10(16)9-6-5-7-17-9/h5-8H,3-4H2,1-2H3,(H,13,15,16)
InChIKeyULQMNFNLWKDCRD-UHFFFAOYSA-N
XLogP3.29
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 53.29
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-[(4-bromophenoxy)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 1387314
N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
CID 811287
N-(2-propyltetrazol-5-yl)furan-2-carboxamide
CID 894157
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-(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

Frequently Asked Questions

What is the IUPAC name of N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide?
The IUPAC name of N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide (CID 975682) is N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide.
What is the SMILES notation for N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide?
The canonical SMILES for N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide is CCC(CC)c1nnc(NC(=O)c2ccco2)s1.
What is the InChIKey of N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide?
The InChIKey is ULQMNFNLWKDCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-3-8(4-2)11-14-15-12(18-11)13-10(16)9-6-5-7-17-9/h5-8H,3-4H2,1-2H3,(H,13,15,16).
What are the key properties of N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide?
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide has a molecular weight of 265.34 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide is sourced from PubChem (CID 975682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).