6-methyl-N'-(4-methylbenzoyl)imidazo[2,1-b][1,3]thiazole-5-carbohydrazide

C15H14N4O2S — CID 127041369

IUPAC6-methyl-N'-(4-methylbenzoyl)imidazo[2,1-b][1,3]thiazole-5-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)c2c(C)nc3sccn23)cc1
InChIInChI=1S/C15H14N4O2S/c1-9-3-5-11(6-4-9)13(20)17-18-14(21)12-10(2)16-15-19(12)7-8-22-15/h3-8H,1-2H3,(H,17,20)(H,18,21)
InChIKeyUITKZDDUZOEFPO-UHFFFAOYSA-N
MW314.37 g/mol
LogP2.09
Rot. Bonds2

About 6-methyl-N'-(4-methylbenzoyl)imidazo[2,1-b][1,3]thiazole-5-carbohydrazide

6-methyl-N'-(4-methylbenzoyl)imidazo[2,1-b][1,3]thiazole-5-carbohydrazide (PubChem CID 127041369) has the molecular formula C15H14N4O2S and a molecular weight of 314.37 g/mol. Its IUPAC name is 6-methyl-N'-(4-methylbenzoyl)imidazo[2,1-b][1,3]thiazole-5-carbohydrazide.

Molecular Properties

Compound Name6-methyl-N'-(4-methylbenzoyl)imidazo[2,1-b][1,3]thiazole-5-carbohydrazide
PubChem CID127041369
Molecular FormulaC15H14N4O2S
Molecular Weight314.37 g/mol
Exact Mass314.08
IUPAC Name6-methyl-N'-(4-methylbenzoyl)imidazo[2,1-b][1,3]thiazole-5-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)c2c(C)nc3sccn23)cc1
InChIInChI=1S/C15H14N4O2S/c1-9-3-5-11(6-4-9)13(20)17-18-14(21)12-10(2)16-15-19(12)7-8-22-15/h3-8H,1-2H3,(H,17,20)(H,18,21)
InChIKeyUITKZDDUZOEFPO-UHFFFAOYSA-N
XLogP2.09
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N'-(4-methylbenzoyl)imidazo[2,1-b][1,3]thiazole-5-carbohydrazide?
The IUPAC name of 6-methyl-N'-(4-methylbenzoyl)imidazo[2,1-b][1,3]thiazole-5-carbohydrazide (CID 127041369) is 6-methyl-N'-(4-methylbenzoyl)imidazo[2,1-b][1,3]thiazole-5-carbohydrazide.
What is the SMILES notation for 6-methyl-N'-(4-methylbenzoyl)imidazo[2,1-b][1,3]thiazole-5-carbohydrazide?
The canonical SMILES for 6-methyl-N'-(4-methylbenzoyl)imidazo[2,1-b][1,3]thiazole-5-carbohydrazide is Cc1ccc(C(=O)NNC(=O)c2c(C)nc3sccn23)cc1.
What is the InChIKey of 6-methyl-N'-(4-methylbenzoyl)imidazo[2,1-b][1,3]thiazole-5-carbohydrazide?
The InChIKey is UITKZDDUZOEFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S/c1-9-3-5-11(6-4-9)13(20)17-18-14(21)12-10(2)16-15-19(12)7-8-22-15/h3-8H,1-2H3,(H,17,20)(H,18,21).
What are the key properties of 6-methyl-N'-(4-methylbenzoyl)imidazo[2,1-b][1,3]thiazole-5-carbohydrazide?
6-methyl-N'-(4-methylbenzoyl)imidazo[2,1-b][1,3]thiazole-5-carbohydrazide has a molecular weight of 314.37 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N'-(4-methylbenzoyl)imidazo[2,1-b][1,3]thiazole-5-carbohydrazide is sourced from PubChem (CID 127041369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).