5-(1H-imidazol-2-ylmethoxymethyl)-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide

C15H15N5O2S — CID 75446569

IUPAC5-(1H-imidazol-2-ylmethoxymethyl)-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCc1ccc(NC(=O)c2nnc(COCc3ncc[nH]3)s2)cc1
InChIInChI=1S/C15H15N5O2S/c1-10-2-4-11(5-3-10)18-14(21)15-20-19-13(23-15)9-22-8-12-16-6-7-17-12/h2-7H,8-9H2,1H3,(H,16,17)(H,18,21)
InChIKeyONZKVYVUZMMEEC-UHFFFAOYSA-N
MW329.39 g/mol
LogP2.54
Rot. Bonds6

About 5-(1H-imidazol-2-ylmethoxymethyl)-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide

5-(1H-imidazol-2-ylmethoxymethyl)-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 75446569) has the molecular formula C15H15N5O2S and a molecular weight of 329.39 g/mol. Its IUPAC name is 5-(1H-imidazol-2-ylmethoxymethyl)-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(1H-imidazol-2-ylmethoxymethyl)-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID75446569
Molecular FormulaC15H15N5O2S
Molecular Weight329.39 g/mol
Exact Mass329.09
IUPAC Name5-(1H-imidazol-2-ylmethoxymethyl)-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCc1ccc(NC(=O)c2nnc(COCc3ncc[nH]3)s2)cc1
InChIInChI=1S/C15H15N5O2S/c1-10-2-4-11(5-3-10)18-14(21)15-20-19-13(23-15)9-22-8-12-16-6-7-17-12/h2-7H,8-9H2,1H3,(H,16,17)(H,18,21)
InChIKeyONZKVYVUZMMEEC-UHFFFAOYSA-N
XLogP2.54
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(1H-imidazol-2-ylmethoxymethyl)-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[2-[(4-fluorophenyl)methylamino]-2-oxoethoxy]methyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 46319810
5-[[2-[(5-methylfuran-2-yl)methylamino]-2-oxoethoxy]methyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 46319816
N-(4-methylphenyl)-5-[[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethoxy]methyl]-1,3,4-thiadiazole-2-carboxamide
CID 46319830
N-(4-fluorophenyl)-5-[[(4-methylphenyl)carbamoylamino]methyl]-1,3,4-thiadiazole-2-carboxamide
CID 53100025
5-[[2-[2-(azepan-1-yl)ethylamino]-2-oxoethoxy]methyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 46319829
5-[[(4-fluorobenzoyl)amino]methyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 53099830
N-(4-fluorophenyl)-5-[[(4-methylbenzoyl)amino]methyl]-1,3,4-thiadiazole-2-carboxamide
CID 53099798
5-[3-(4-ethoxyanilino)-3-oxopropyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 46354339
5-[[(2-cyclopropyl-2-hydroxyethyl)-methylamino]methyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 110019432
N-(4-fluorophenyl)-5-[[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-2-oxoethoxy]methyl]-1,3,4-thiadiazole-2-carboxamide
CID 46319944
5-[[2-(cyclopentylamino)-2-oxoethoxy]methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 46319914
5-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 46354661

Frequently Asked Questions

What is the IUPAC name of 5-(1H-imidazol-2-ylmethoxymethyl)-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-(1H-imidazol-2-ylmethoxymethyl)-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide (CID 75446569) is 5-(1H-imidazol-2-ylmethoxymethyl)-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-(1H-imidazol-2-ylmethoxymethyl)-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-(1H-imidazol-2-ylmethoxymethyl)-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide is Cc1ccc(NC(=O)c2nnc(COCc3ncc[nH]3)s2)cc1.
What is the InChIKey of 5-(1H-imidazol-2-ylmethoxymethyl)-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is ONZKVYVUZMMEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2S/c1-10-2-4-11(5-3-10)18-14(21)15-20-19-13(23-15)9-22-8-12-16-6-7-17-12/h2-7H,8-9H2,1H3,(H,16,17)(H,18,21).
What are the key properties of 5-(1H-imidazol-2-ylmethoxymethyl)-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide?
5-(1H-imidazol-2-ylmethoxymethyl)-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 329.39 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-imidazol-2-ylmethoxymethyl)-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 75446569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).