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

C11H11N3OS — CID 714543

IUPAC4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(-c2ccccc2)sc1C(=O)NN
InChIInChI=1S/C11H11N3OS/c1-7-9(10(15)14-12)16-11(13-7)8-5-3-2-4-6-8/h2-6H,12H2,1H3,(H,14,15)
InChIKeyGQSOVDYCSQOIJB-UHFFFAOYSA-N
MW233.30 g/mol
LogP1.72
Rot. Bonds2

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

4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide (PubChem CID 714543) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is 4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound Name4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
PubChem CID714543
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC Name4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(-c2ccccc2)sc1C(=O)NN
InChIInChI=1S/C11H11N3OS/c1-7-9(10(15)14-12)16-11(13-7)8-5-3-2-4-6-8/h2-6H,12H2,1H3,(H,14,15)
InChIKeyGQSOVDYCSQOIJB-UHFFFAOYSA-N
XLogP1.72
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 51.72
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 4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide?
The IUPAC name of 4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide (CID 714543) is 4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for 4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for 4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide is Cc1nc(-c2ccccc2)sc1C(=O)NN.
What is the InChIKey of 4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide?
The InChIKey is GQSOVDYCSQOIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c1-7-9(10(15)14-12)16-11(13-7)8-5-3-2-4-6-8/h2-6H,12H2,1H3,(H,14,15).
What are the key properties of 4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide?
4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide has a molecular weight of 233.30 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 714543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).