N-benzyl-5-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine

C17H14N4S — CID 58285758

IUPACN-benzyl-5-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESc1ccc(CNc2nn3c(-c4ccccc4)cnc3s2)cc1
InChIInChI=1S/C17H14N4S/c1-3-7-13(8-4-1)11-18-16-20-21-15(12-19-17(21)22-16)14-9-5-2-6-10-14/h1-10,12H,11H2,(H,18,20)
InChIKeyXJLSXAYIANSEQV-UHFFFAOYSA-N
MW306.39 g/mol
LogP4.07
Rot. Bonds4

About N-benzyl-5-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine

N-benzyl-5-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 58285758) has the molecular formula C17H14N4S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-benzyl-5-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound NameN-benzyl-5-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID58285758
Molecular FormulaC17H14N4S
Molecular Weight306.39 g/mol
Exact Mass306.09
IUPAC NameN-benzyl-5-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESc1ccc(CNc2nn3c(-c4ccccc4)cnc3s2)cc1
InChIInChI=1S/C17H14N4S/c1-3-7-13(8-4-1)11-18-16-20-21-15(12-19-17(21)22-16)14-9-5-2-6-10-14/h1-10,12H,11H2,(H,18,20)
InChIKeyXJLSXAYIANSEQV-UHFFFAOYSA-N
XLogP4.07
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-benzyl-5-phenylimidazo[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 N-benzyl-5-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of N-benzyl-5-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 58285758) is N-benzyl-5-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for N-benzyl-5-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for N-benzyl-5-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine is c1ccc(CNc2nn3c(-c4ccccc4)cnc3s2)cc1.
What is the InChIKey of N-benzyl-5-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is XJLSXAYIANSEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4S/c1-3-7-13(8-4-1)11-18-16-20-21-15(12-19-17(21)22-16)14-9-5-2-6-10-14/h1-10,12H,11H2,(H,18,20).
What are the key properties of N-benzyl-5-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
N-benzyl-5-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 306.39 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 58285758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).