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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).