N-(1,3-benzodioxol-5-yl)-N-methyl-5-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine

C18H14N4O2S — CID 67222186

IUPACN-(1,3-benzodioxol-5-yl)-N-methyl-5-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCN(c1ccc2c(c1)OCO2)c1nn2c(-c3ccccc3)cnc2s1
InChIInChI=1S/C18H14N4O2S/c1-21(13-7-8-15-16(9-13)24-11-23-15)18-20-22-14(10-19-17(22)25-18)12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKeyDKUJUXSXUFGBFQ-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.95
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-N-methyl-5-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine

N-(1,3-benzodioxol-5-yl)-N-methyl-5-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 67222186) has the molecular formula C18H14N4O2S and a molecular weight of 350.40 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-N-methyl-5-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-N-methyl-5-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID67222186
Molecular FormulaC18H14N4O2S
Molecular Weight350.40 g/mol
Exact Mass350.08
IUPAC NameN-(1,3-benzodioxol-5-yl)-N-methyl-5-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCN(c1ccc2c(c1)OCO2)c1nn2c(-c3ccccc3)cnc2s1
InChIInChI=1S/C18H14N4O2S/c1-21(13-7-8-15-16(9-13)24-11-23-15)18-20-22-14(10-19-17(22)25-18)12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKeyDKUJUXSXUFGBFQ-UHFFFAOYSA-N
XLogP3.95
TPSA51.89 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-(1,3-benzodioxol-5-yl)-N-methyl-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-(1,3-benzodioxol-5-yl)-N-methyl-5-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-N-methyl-5-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 67222186) is N-(1,3-benzodioxol-5-yl)-N-methyl-5-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-N-methyl-5-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-N-methyl-5-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine is CN(c1ccc2c(c1)OCO2)c1nn2c(-c3ccccc3)cnc2s1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-N-methyl-5-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is DKUJUXSXUFGBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2S/c1-21(13-7-8-15-16(9-13)24-11-23-15)18-20-22-14(10-19-17(22)25-18)12-5-3-2-4-6-12/h2-10H,11H2,1H3.
What are the key properties of N-(1,3-benzodioxol-5-yl)-N-methyl-5-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
N-(1,3-benzodioxol-5-yl)-N-methyl-5-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 350.40 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-N-methyl-5-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 67222186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).