6-phenyl-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine

C15H12N4S2 — CID 39984089

IUPAC6-phenyl-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESc1ccc(-c2cn3nc(NCc4cccs4)sc3n2)cc1
InChIInChI=1S/C15H12N4S2/c1-2-5-11(6-3-1)13-10-19-15(17-13)21-14(18-19)16-9-12-7-4-8-20-12/h1-8,10H,9H2,(H,16,18)
InChIKeyZHKDLVPNPDTYNF-UHFFFAOYSA-N
MW312.42 g/mol
LogP4.13
Rot. Bonds4

About 6-phenyl-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine

6-phenyl-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 39984089) has the molecular formula C15H12N4S2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 6-phenyl-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound Name6-phenyl-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID39984089
Molecular FormulaC15H12N4S2
Molecular Weight312.42 g/mol
Exact Mass312.05
IUPAC Name6-phenyl-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESc1ccc(-c2cn3nc(NCc4cccs4)sc3n2)cc1
InChIInChI=1S/C15H12N4S2/c1-2-5-11(6-3-1)13-10-19-15(17-13)21-14(18-19)16-9-12-7-4-8-20-12/h1-8,10H,9H2,(H,16,18)
InChIKeyZHKDLVPNPDTYNF-UHFFFAOYSA-N
XLogP4.13
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-phenyl-N-(thiophen-2-ylmethyl)imidazo[2,1-b][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 6-phenyl-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of 6-phenyl-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 39984089) is 6-phenyl-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for 6-phenyl-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for 6-phenyl-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine is c1ccc(-c2cn3nc(NCc4cccs4)sc3n2)cc1.
What is the InChIKey of 6-phenyl-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is ZHKDLVPNPDTYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4S2/c1-2-5-11(6-3-1)13-10-19-15(17-13)21-14(18-19)16-9-12-7-4-8-20-12/h1-8,10H,9H2,(H,16,18).
What are the key properties of 6-phenyl-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
6-phenyl-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 312.42 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 39984089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).