5-[[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]methyl]-1,3,4-thiadiazol-2-amine

C15H17N5O2S — CID 165420254

IUPAC5-[[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]methyl]-1,3,4-thiadiazol-2-amine
SMILESCOc1cc(C)cc(-c2nccn2Cc2nnc(N)s2)c1OC
InChIInChI=1S/C15H17N5O2S/c1-9-6-10(13(22-3)11(7-9)21-2)14-17-4-5-20(14)8-12-18-19-15(16)23-12/h4-7H,8H2,1-3H3,(H2,16,19)
InChIKeyYIKGDTWWGJEQHP-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.36
Rot. Bonds5

About 5-[[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]methyl]-1,3,4-thiadiazol-2-amine

5-[[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 165420254) has the molecular formula C15H17N5O2S and a molecular weight of 331.40 g/mol. Its IUPAC name is 5-[[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]methyl]-1,3,4-thiadiazol-2-amine
PubChem CID165420254
Molecular FormulaC15H17N5O2S
Molecular Weight331.40 g/mol
Exact Mass331.11
IUPAC Name5-[[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]methyl]-1,3,4-thiadiazol-2-amine
SMILESCOc1cc(C)cc(-c2nccn2Cc2nnc(N)s2)c1OC
InChIInChI=1S/C15H17N5O2S/c1-9-6-10(13(22-3)11(7-9)21-2)14-17-4-5-20(14)8-12-18-19-15(16)23-12/h4-7H,8H2,1-3H3,(H2,16,19)
InChIKeyYIKGDTWWGJEQHP-UHFFFAOYSA-N
XLogP2.36
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]methyl]-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-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]methyl]-1,3,4-thiadiazol-2-amine (CID 165420254) is 5-[[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]methyl]-1,3,4-thiadiazol-2-amine is COc1cc(C)cc(-c2nccn2Cc2nnc(N)s2)c1OC.
What is the InChIKey of 5-[[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is YIKGDTWWGJEQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2S/c1-9-6-10(13(22-3)11(7-9)21-2)14-17-4-5-20(14)8-12-18-19-15(16)23-12/h4-7H,8H2,1-3H3,(H2,16,19).
What are the key properties of 5-[[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]methyl]-1,3,4-thiadiazol-2-amine?
5-[[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 331.40 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 165420254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).