4-methyl-N'-(4-methylbenzoyl)-2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole-5-carbohydrazide

C17H16N4O2S2 — CID 2744782

IUPAC4-methyl-N'-(4-methylbenzoyl)-2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole-5-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)c2sc(-c3csc(C)n3)nc2C)cc1
InChIInChI=1S/C17H16N4O2S2/c1-9-4-6-12(7-5-9)15(22)20-21-16(23)14-10(2)18-17(25-14)13-8-24-11(3)19-13/h4-8H,1-3H3,(H,20,22)(H,21,23)
InChIKeyICKHAQLDMSSYES-UHFFFAOYSA-N
MW372.48 g/mol
LogP3.27
Rot. Bonds3

About 4-methyl-N'-(4-methylbenzoyl)-2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole-5-carbohydrazide

4-methyl-N'-(4-methylbenzoyl)-2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole-5-carbohydrazide (PubChem CID 2744782) has the molecular formula C17H16N4O2S2 and a molecular weight of 372.48 g/mol. Its IUPAC name is 4-methyl-N'-(4-methylbenzoyl)-2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound Name4-methyl-N'-(4-methylbenzoyl)-2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole-5-carbohydrazide
PubChem CID2744782
Molecular FormulaC17H16N4O2S2
Molecular Weight372.48 g/mol
Exact Mass372.07
IUPAC Name4-methyl-N'-(4-methylbenzoyl)-2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole-5-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)c2sc(-c3csc(C)n3)nc2C)cc1
InChIInChI=1S/C17H16N4O2S2/c1-9-4-6-12(7-5-9)15(22)20-21-16(23)14-10(2)18-17(25-14)13-8-24-11(3)19-13/h4-8H,1-3H3,(H,20,22)(H,21,23)
InChIKeyICKHAQLDMSSYES-UHFFFAOYSA-N
XLogP3.27
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.48
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-methyl-N'-(4-methylbenzoyl)-2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole-5-carbohydrazide 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 4-methyl-N'-(4-methylbenzoyl)-2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole-5-carbohydrazide?
The IUPAC name of 4-methyl-N'-(4-methylbenzoyl)-2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole-5-carbohydrazide (CID 2744782) is 4-methyl-N'-(4-methylbenzoyl)-2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for 4-methyl-N'-(4-methylbenzoyl)-2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for 4-methyl-N'-(4-methylbenzoyl)-2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole-5-carbohydrazide is Cc1ccc(C(=O)NNC(=O)c2sc(-c3csc(C)n3)nc2C)cc1.
What is the InChIKey of 4-methyl-N'-(4-methylbenzoyl)-2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole-5-carbohydrazide?
The InChIKey is ICKHAQLDMSSYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S2/c1-9-4-6-12(7-5-9)15(22)20-21-16(23)14-10(2)18-17(25-14)13-8-24-11(3)19-13/h4-8H,1-3H3,(H,20,22)(H,21,23).
What are the key properties of 4-methyl-N'-(4-methylbenzoyl)-2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole-5-carbohydrazide?
4-methyl-N'-(4-methylbenzoyl)-2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole-5-carbohydrazide has a molecular weight of 372.48 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N'-(4-methylbenzoyl)-2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 2744782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).