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

C11H13N3O2S — CID 872671

IUPACN-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1nnc(-c2ccco2)s1
InChIInChI=1S/C11H13N3O2S/c1-7(2)6-9(15)12-11-14-13-10(17-11)8-4-3-5-16-8/h3-5,7H,6H2,1-2H3,(H,12,14,15)
InChIKeyJWCBAYFTGSWKQH-UHFFFAOYSA-N
MW251.31 g/mol
LogP2.78
Rot. Bonds4

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

N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-methylbutanamide (PubChem CID 872671) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-methylbutanamide
PubChem CID872671
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC NameN-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1nnc(-c2ccco2)s1
InChIInChI=1S/C11H13N3O2S/c1-7(2)6-9(15)12-11-14-13-10(17-11)8-4-3-5-16-8/h3-5,7H,6H2,1-2H3,(H,12,14,15)
InChIKeyJWCBAYFTGSWKQH-UHFFFAOYSA-N
XLogP2.78
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 52.78
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-(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
N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 8414062
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-methoxybenzamide
CID 695203
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

Frequently Asked Questions

What is the IUPAC name of N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-methylbutanamide?
The IUPAC name of N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-methylbutanamide (CID 872671) is N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-methylbutanamide.
What is the SMILES notation for N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-methylbutanamide?
The canonical SMILES for N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-methylbutanamide is CC(C)CC(=O)Nc1nnc(-c2ccco2)s1.
What is the InChIKey of N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-methylbutanamide?
The InChIKey is JWCBAYFTGSWKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-7(2)6-9(15)12-11-14-13-10(17-11)8-4-3-5-16-8/h3-5,7H,6H2,1-2H3,(H,12,14,15).
What are the key properties of N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-methylbutanamide?
N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-3-methylbutanamide has a molecular weight of 251.31 g/mol, XLogP of 2.78, 4 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]-3-methylbutanamide is sourced from PubChem (CID 872671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).