2-[5-(4-methoxy-3-methylphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]propan-2-ol

C16H19N3O2S — CID 146411679

IUPAC2-[5-(4-methoxy-3-methylphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]propan-2-ol
SMILESCOc1ccc(-c2c(C)nc3sc(C(C)(C)O)nn23)cc1C
InChIInChI=1S/C16H19N3O2S/c1-9-8-11(6-7-12(9)21-5)13-10(2)17-15-19(13)18-14(22-15)16(3,4)20/h6-8,20H,1-5H3
InChIKeyAHQKTQWBAUICLS-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.31
Rot. Bonds3

About 2-[5-(4-methoxy-3-methylphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]propan-2-ol

2-[5-(4-methoxy-3-methylphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]propan-2-ol (PubChem CID 146411679) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 2-[5-(4-methoxy-3-methylphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[5-(4-methoxy-3-methylphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]propan-2-ol
PubChem CID146411679
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name2-[5-(4-methoxy-3-methylphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]propan-2-ol
SMILESCOc1ccc(-c2c(C)nc3sc(C(C)(C)O)nn23)cc1C
InChIInChI=1S/C16H19N3O2S/c1-9-8-11(6-7-12(9)21-5)13-10(2)17-15-19(13)18-14(22-15)16(3,4)20/h6-8,20H,1-5H3
InChIKeyAHQKTQWBAUICLS-UHFFFAOYSA-N
XLogP3.31
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[5-(4-methoxy-3-methylphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]propan-2-ol 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 2-[5-(4-methoxy-3-methylphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]propan-2-ol?
The IUPAC name of 2-[5-(4-methoxy-3-methylphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]propan-2-ol (CID 146411679) is 2-[5-(4-methoxy-3-methylphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]propan-2-ol.
What is the SMILES notation for 2-[5-(4-methoxy-3-methylphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]propan-2-ol?
The canonical SMILES for 2-[5-(4-methoxy-3-methylphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]propan-2-ol is COc1ccc(-c2c(C)nc3sc(C(C)(C)O)nn23)cc1C.
What is the InChIKey of 2-[5-(4-methoxy-3-methylphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]propan-2-ol?
The InChIKey is AHQKTQWBAUICLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-9-8-11(6-7-12(9)21-5)13-10(2)17-15-19(13)18-14(22-15)16(3,4)20/h6-8,20H,1-5H3.
What are the key properties of 2-[5-(4-methoxy-3-methylphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]propan-2-ol?
2-[5-(4-methoxy-3-methylphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]propan-2-ol has a molecular weight of 317.41 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methoxy-3-methylphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]propan-2-ol is sourced from PubChem (CID 146411679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).