2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazole-4-carbohydrazide

C9H11N5OS — CID 1497048

IUPAC2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazole-4-carbohydrazide
SMILESCc1cc(C)n(-c2nc(C(=O)NN)cs2)n1
InChIInChI=1S/C9H11N5OS/c1-5-3-6(2)14(13-5)9-11-7(4-16-9)8(15)12-10/h3-4H,10H2,1-2H3,(H,12,15)
InChIKeyUOFDGSZJQCMWGF-UHFFFAOYSA-N
MW237.29 g/mol
LogP0.55
Rot. Bonds2

About 2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazole-4-carbohydrazide

2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazole-4-carbohydrazide (PubChem CID 1497048) has the molecular formula C9H11N5OS and a molecular weight of 237.29 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazole-4-carbohydrazide
PubChem CID1497048
Molecular FormulaC9H11N5OS
Molecular Weight237.29 g/mol
Exact Mass237.07
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazole-4-carbohydrazide
SMILESCc1cc(C)n(-c2nc(C(=O)NN)cs2)n1
InChIInChI=1S/C9H11N5OS/c1-5-3-6(2)14(13-5)9-11-7(4-16-9)8(15)12-10/h3-4H,10H2,1-2H3,(H,12,15)
InChIKeyUOFDGSZJQCMWGF-UHFFFAOYSA-N
XLogP0.55
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(3,5-dimethylpyrazol-1-yl)-1,3-thiazole-4-carbohydrazide?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazole-4-carbohydrazide (CID 1497048) is 2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazole-4-carbohydrazide is Cc1cc(C)n(-c2nc(C(=O)NN)cs2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazole-4-carbohydrazide?
The InChIKey is UOFDGSZJQCMWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5OS/c1-5-3-6(2)14(13-5)9-11-7(4-16-9)8(15)12-10/h3-4H,10H2,1-2H3,(H,12,15).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazole-4-carbohydrazide?
2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazole-4-carbohydrazide has a molecular weight of 237.29 g/mol, XLogP of 0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 1497048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).