5-(2,4-dimethylthiophen-3-yl)-1,3,4-thiadiazol-2-amine

C8H9N3S2 — CID 23463045

IUPAC5-(2,4-dimethylthiophen-3-yl)-1,3,4-thiadiazol-2-amine
SMILESCc1csc(C)c1-c1nnc(N)s1
InChIInChI=1S/C8H9N3S2/c1-4-3-12-5(2)6(4)7-10-11-8(9)13-7/h3H,1-2H3,(H2,9,11)
InChIKeyNBPCMCUFXNYSMO-UHFFFAOYSA-N
MW211.31 g/mol
LogP2.47
Rot. Bonds1

About 5-(2,4-dimethylthiophen-3-yl)-1,3,4-thiadiazol-2-amine

5-(2,4-dimethylthiophen-3-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 23463045) has the molecular formula C8H9N3S2 and a molecular weight of 211.31 g/mol. Its IUPAC name is 5-(2,4-dimethylthiophen-3-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(2,4-dimethylthiophen-3-yl)-1,3,4-thiadiazol-2-amine
PubChem CID23463045
Molecular FormulaC8H9N3S2
Molecular Weight211.31 g/mol
Exact Mass211.02
IUPAC Name5-(2,4-dimethylthiophen-3-yl)-1,3,4-thiadiazol-2-amine
SMILESCc1csc(C)c1-c1nnc(N)s1
InChIInChI=1S/C8H9N3S2/c1-4-3-12-5(2)6(4)7-10-11-8(9)13-7/h3H,1-2H3,(H2,9,11)
InChIKeyNBPCMCUFXNYSMO-UHFFFAOYSA-N
XLogP2.47
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(2,4-dimethylthiophen-3-yl)-1,3,4-thiadiazol-2-amine 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 5-(2,4-dimethylthiophen-3-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(2,4-dimethylthiophen-3-yl)-1,3,4-thiadiazol-2-amine (CID 23463045) is 5-(2,4-dimethylthiophen-3-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(2,4-dimethylthiophen-3-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(2,4-dimethylthiophen-3-yl)-1,3,4-thiadiazol-2-amine is Cc1csc(C)c1-c1nnc(N)s1.
What is the InChIKey of 5-(2,4-dimethylthiophen-3-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is NBPCMCUFXNYSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3S2/c1-4-3-12-5(2)6(4)7-10-11-8(9)13-7/h3H,1-2H3,(H2,9,11).
What are the key properties of 5-(2,4-dimethylthiophen-3-yl)-1,3,4-thiadiazol-2-amine?
5-(2,4-dimethylthiophen-3-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 211.31 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethylthiophen-3-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 23463045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).