N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide

C10H9N3O2S — CID 650232

IUPACN-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nnc(-c2ccco2)s1)C1CC1
InChIInChI=1S/C10H9N3O2S/c14-8(6-3-4-6)11-10-13-12-9(16-10)7-2-1-5-15-7/h1-2,5-6H,3-4H2,(H,11,13,14)
InChIKeyCAHYAQGKGGCAIR-UHFFFAOYSA-N
MW235.27 g/mol
LogP2.15
Rot. Bonds3

About N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide

N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide (PubChem CID 650232) has the molecular formula C10H9N3O2S and a molecular weight of 235.27 g/mol. Its IUPAC name is N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
PubChem CID650232
Molecular FormulaC10H9N3O2S
Molecular Weight235.27 g/mol
Exact Mass235.04
IUPAC NameN-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nnc(-c2ccco2)s1)C1CC1
InChIInChI=1S/C10H9N3O2S/c14-8(6-3-4-6)11-10-13-12-9(16-10)7-2-1-5-15-7/h1-2,5-6H,3-4H2,(H,11,13,14)
InChIKeyCAHYAQGKGGCAIR-UHFFFAOYSA-N
XLogP2.15
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(furan-2-yl)-N-methyl-1,3,4-thiadiazol-2-amine
CID 2812029
5-(Furan-2-yl)-1,3,4-thiadiazol-2-amine
CID 351610
N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
CID 811287
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
N-(5-(furan-2-yl)-1,3,4-oxadiazol-2-yl)cyclopropanecarboxamide
CID 4536914
N-(5-(furan-2-yl)-1,3,4-thiadiazol-2-yl)-2-(2-methoxyphenoxy)acetamide
CID 659827
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-furancarboxamide
CID 665745
N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methylbenzamide
CID 711635
N-[(2Z)-5-(furan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]-2-(3-methylphenoxy)acetamide
CID 808863
2-(4-ethylphenoxy)-N-(5-(furan-2-yl)-1,3,4-thiadiazol-2-yl)acetamide
CID 846585
N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-N'-hydroxyoctanediamide
CID 118716315

Frequently Asked Questions

What is the IUPAC name of N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide (CID 650232) is N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide is O=C(Nc1nnc(-c2ccco2)s1)C1CC1.
What is the InChIKey of N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide?
The InChIKey is CAHYAQGKGGCAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2S/c14-8(6-3-4-6)11-10-13-12-9(16-10)7-2-1-5-15-7/h1-2,5-6H,3-4H2,(H,11,13,14).
What are the key properties of N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide?
N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide has a molecular weight of 235.27 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 650232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).