2-(2-tert-butyl-1,3-thiazol-4-yl)acetohydrazide

C9H15N3OS — CID 2757342

IUPAC2-(2-tert-butyl-1,3-thiazol-4-yl)acetohydrazide
SMILESCC(C)(C)c1nc(CC(=O)NN)cs1
InChIInChI=1S/C9H15N3OS/c1-9(2,3)8-11-6(5-14-8)4-7(13)12-10/h5H,4,10H2,1-3H3,(H,12,13)
InChIKeyJUBGFJVFYRHCAL-UHFFFAOYSA-N
MW213.31 g/mol
LogP0.97
Rot. Bonds2

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

2-(2-tert-butyl-1,3-thiazol-4-yl)acetohydrazide (PubChem CID 2757342) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 2-(2-tert-butyl-1,3-thiazol-4-yl)acetohydrazide.

Molecular Properties

Compound Name2-(2-tert-butyl-1,3-thiazol-4-yl)acetohydrazide
PubChem CID2757342
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name2-(2-tert-butyl-1,3-thiazol-4-yl)acetohydrazide
SMILESCC(C)(C)c1nc(CC(=O)NN)cs1
InChIInChI=1S/C9H15N3OS/c1-9(2,3)8-11-6(5-14-8)4-7(13)12-10/h5H,4,10H2,1-3H3,(H,12,13)
InChIKeyJUBGFJVFYRHCAL-UHFFFAOYSA-N
XLogP0.97
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 50.97
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'}

Analyze 2-(2-tert-butyl-1,3-thiazol-4-yl)acetohydrazide 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 2-(2-tert-butyl-1,3-thiazol-4-yl)acetohydrazide?
The IUPAC name of 2-(2-tert-butyl-1,3-thiazol-4-yl)acetohydrazide (CID 2757342) is 2-(2-tert-butyl-1,3-thiazol-4-yl)acetohydrazide.
What is the SMILES notation for 2-(2-tert-butyl-1,3-thiazol-4-yl)acetohydrazide?
The canonical SMILES for 2-(2-tert-butyl-1,3-thiazol-4-yl)acetohydrazide is CC(C)(C)c1nc(CC(=O)NN)cs1.
What is the InChIKey of 2-(2-tert-butyl-1,3-thiazol-4-yl)acetohydrazide?
The InChIKey is JUBGFJVFYRHCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-9(2,3)8-11-6(5-14-8)4-7(13)12-10/h5H,4,10H2,1-3H3,(H,12,13).
What are the key properties of 2-(2-tert-butyl-1,3-thiazol-4-yl)acetohydrazide?
2-(2-tert-butyl-1,3-thiazol-4-yl)acetohydrazide has a molecular weight of 213.31 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-1,3-thiazol-4-yl)acetohydrazide is sourced from PubChem (CID 2757342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).