2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide

C6H9N3OS — CID 4962835

IUPAC2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide
SMILESCc1csc(CC(=O)NN)n1
InChIInChI=1S/C6H9N3OS/c1-4-3-11-6(8-4)2-5(10)9-7/h3H,2,7H2,1H3,(H,9,10)
InChIKeyRTOSURXTIRTROR-UHFFFAOYSA-N
MW171.22 g/mol
LogP-0.02
Rot. Bonds2

About 2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide

2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide (PubChem CID 4962835) has the molecular formula C6H9N3OS and a molecular weight of 171.22 g/mol. Its IUPAC name is 2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide.

Molecular Properties

Compound Name2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide
PubChem CID4962835
Molecular FormulaC6H9N3OS
Molecular Weight171.22 g/mol
Exact Mass171.05
IUPAC Name2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide
SMILESCc1csc(CC(=O)NN)n1
InChIInChI=1S/C6H9N3OS/c1-4-3-11-6(8-4)2-5(10)9-7/h3H,2,7H2,1H3,(H,9,10)
InChIKeyRTOSURXTIRTROR-UHFFFAOYSA-N
XLogP-0.02
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 5-0.02
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-(4-methyl-1,3-thiazol-2-yl)acetohydrazide?
The IUPAC name of 2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide (CID 4962835) is 2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide.
What is the SMILES notation for 2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide?
The canonical SMILES for 2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide is Cc1csc(CC(=O)NN)n1.
What is the InChIKey of 2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide?
The InChIKey is RTOSURXTIRTROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3OS/c1-4-3-11-6(8-4)2-5(10)9-7/h3H,2,7H2,1H3,(H,9,10).
What are the key properties of 2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide?
2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide has a molecular weight of 171.22 g/mol, XLogP of -0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide is sourced from PubChem (CID 4962835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).