N-(furan-2-ylmethyl)-N'-(5-methyl-1,3,4-thiadiazol-2-yl)butanediamide

C12H14N4O3S — CID 664184

IUPACN-(furan-2-ylmethyl)-N'-(5-methyl-1,3,4-thiadiazol-2-yl)butanediamide
SMILESCc1nnc(NC(=O)CCC(=O)NCc2ccco2)s1
InChIInChI=1S/C12H14N4O3S/c1-8-15-16-12(20-8)14-11(18)5-4-10(17)13-7-9-3-2-6-19-9/h2-3,6H,4-5,7H2,1H3,(H,13,17)(H,14,16,18)
InChIKeySQXGPGJBSIIZMO-UHFFFAOYSA-N
MW294.34 g/mol
LogP1.47
Rot. Bonds6

About N-(furan-2-ylmethyl)-N'-(5-methyl-1,3,4-thiadiazol-2-yl)butanediamide

N-(furan-2-ylmethyl)-N'-(5-methyl-1,3,4-thiadiazol-2-yl)butanediamide (PubChem CID 664184) has the molecular formula C12H14N4O3S and a molecular weight of 294.34 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N'-(5-methyl-1,3,4-thiadiazol-2-yl)butanediamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N'-(5-methyl-1,3,4-thiadiazol-2-yl)butanediamide
PubChem CID664184
Molecular FormulaC12H14N4O3S
Molecular Weight294.34 g/mol
Exact Mass294.08
IUPAC NameN-(furan-2-ylmethyl)-N'-(5-methyl-1,3,4-thiadiazol-2-yl)butanediamide
SMILESCc1nnc(NC(=O)CCC(=O)NCc2ccco2)s1
InChIInChI=1S/C12H14N4O3S/c1-8-15-16-12(20-8)14-11(18)5-4-10(17)13-7-9-3-2-6-19-9/h2-3,6H,4-5,7H2,1H3,(H,13,17)(H,14,16,18)
InChIKeySQXGPGJBSIIZMO-UHFFFAOYSA-N
XLogP1.47
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(furan-2-ylmethyl)-N'-(5-methyl-1,3,4-thiadiazol-2-yl)butanediamide 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-(furan-2-ylmethyl)-N'-(5-methyl-1,3,4-thiadiazol-2-yl)butanediamide?
The IUPAC name of N-(furan-2-ylmethyl)-N'-(5-methyl-1,3,4-thiadiazol-2-yl)butanediamide (CID 664184) is N-(furan-2-ylmethyl)-N'-(5-methyl-1,3,4-thiadiazol-2-yl)butanediamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N'-(5-methyl-1,3,4-thiadiazol-2-yl)butanediamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N'-(5-methyl-1,3,4-thiadiazol-2-yl)butanediamide is Cc1nnc(NC(=O)CCC(=O)NCc2ccco2)s1.
What is the InChIKey of N-(furan-2-ylmethyl)-N'-(5-methyl-1,3,4-thiadiazol-2-yl)butanediamide?
The InChIKey is SQXGPGJBSIIZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S/c1-8-15-16-12(20-8)14-11(18)5-4-10(17)13-7-9-3-2-6-19-9/h2-3,6H,4-5,7H2,1H3,(H,13,17)(H,14,16,18).
What are the key properties of N-(furan-2-ylmethyl)-N'-(5-methyl-1,3,4-thiadiazol-2-yl)butanediamide?
N-(furan-2-ylmethyl)-N'-(5-methyl-1,3,4-thiadiazol-2-yl)butanediamide has a molecular weight of 294.34 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N'-(5-methyl-1,3,4-thiadiazol-2-yl)butanediamide is sourced from PubChem (CID 664184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).