2-methyl-4-phenyl-5H-1,3-thiazole-2-carbohydrazide

C11H13N3OS — CID 134857652

IUPAC2-methyl-4-phenyl-5H-1,3-thiazole-2-carbohydrazide
SMILESCC1(C(=O)NN)N=C(c2ccccc2)CS1
InChIInChI=1S/C11H13N3OS/c1-11(10(15)14-12)13-9(7-16-11)8-5-3-2-4-6-8/h2-6H,7,12H2,1H3,(H,14,15)
InChIKeySNKPGXRQKTZZIU-UHFFFAOYSA-N
MW235.31 g/mol
LogP0.93
Rot. Bonds2

About 2-methyl-4-phenyl-5H-1,3-thiazole-2-carbohydrazide

2-methyl-4-phenyl-5H-1,3-thiazole-2-carbohydrazide (PubChem CID 134857652) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 2-methyl-4-phenyl-5H-1,3-thiazole-2-carbohydrazide.

Molecular Properties

Compound Name2-methyl-4-phenyl-5H-1,3-thiazole-2-carbohydrazide
PubChem CID134857652
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name2-methyl-4-phenyl-5H-1,3-thiazole-2-carbohydrazide
SMILESCC1(C(=O)NN)N=C(c2ccccc2)CS1
InChIInChI=1S/C11H13N3OS/c1-11(10(15)14-12)13-9(7-16-11)8-5-3-2-4-6-8/h2-6H,7,12H2,1H3,(H,14,15)
InChIKeySNKPGXRQKTZZIU-UHFFFAOYSA-N
XLogP0.93
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-phenyl-5H-1,3-thiazole-2-carbohydrazide?
The IUPAC name of 2-methyl-4-phenyl-5H-1,3-thiazole-2-carbohydrazide (CID 134857652) is 2-methyl-4-phenyl-5H-1,3-thiazole-2-carbohydrazide.
What is the SMILES notation for 2-methyl-4-phenyl-5H-1,3-thiazole-2-carbohydrazide?
The canonical SMILES for 2-methyl-4-phenyl-5H-1,3-thiazole-2-carbohydrazide is CC1(C(=O)NN)N=C(c2ccccc2)CS1.
What is the InChIKey of 2-methyl-4-phenyl-5H-1,3-thiazole-2-carbohydrazide?
The InChIKey is SNKPGXRQKTZZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-11(10(15)14-12)13-9(7-16-11)8-5-3-2-4-6-8/h2-6H,7,12H2,1H3,(H,14,15).
What are the key properties of 2-methyl-4-phenyl-5H-1,3-thiazole-2-carbohydrazide?
2-methyl-4-phenyl-5H-1,3-thiazole-2-carbohydrazide has a molecular weight of 235.31 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-phenyl-5H-1,3-thiazole-2-carbohydrazide is sourced from PubChem (CID 134857652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).