1-[2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)ethyl]triazole-4-carbohydrazide

C10H14N6O2S — CID 55213296

IUPAC1-[2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)ethyl]triazole-4-carbohydrazide
SMILESCc1sc(=O)n(CCn2cc(C(=O)NN)nn2)c1C
InChIInChI=1S/C10H14N6O2S/c1-6-7(2)19-10(18)16(6)4-3-15-5-8(13-14-15)9(17)12-11/h5H,3-4,11H2,1-2H3,(H,12,17)
InChIKeyUPYFACGPYNHJDJ-UHFFFAOYSA-N
MW282.33 g/mol
LogP-0.58
Rot. Bonds4

About 1-[2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)ethyl]triazole-4-carbohydrazide

1-[2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)ethyl]triazole-4-carbohydrazide (PubChem CID 55213296) has the molecular formula C10H14N6O2S and a molecular weight of 282.33 g/mol. Its IUPAC name is 1-[2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)ethyl]triazole-4-carbohydrazide.

Molecular Properties

Compound Name1-[2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)ethyl]triazole-4-carbohydrazide
PubChem CID55213296
Molecular FormulaC10H14N6O2S
Molecular Weight282.33 g/mol
Exact Mass282.09
IUPAC Name1-[2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)ethyl]triazole-4-carbohydrazide
SMILESCc1sc(=O)n(CCn2cc(C(=O)NN)nn2)c1C
InChIInChI=1S/C10H14N6O2S/c1-6-7(2)19-10(18)16(6)4-3-15-5-8(13-14-15)9(17)12-11/h5H,3-4,11H2,1-2H3,(H,12,17)
InChIKeyUPYFACGPYNHJDJ-UHFFFAOYSA-N
XLogP-0.58
TPSA107.83 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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 1-[2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)ethyl]triazole-4-carbohydrazide?
The IUPAC name of 1-[2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)ethyl]triazole-4-carbohydrazide (CID 55213296) is 1-[2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)ethyl]triazole-4-carbohydrazide.
What is the SMILES notation for 1-[2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)ethyl]triazole-4-carbohydrazide?
The canonical SMILES for 1-[2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)ethyl]triazole-4-carbohydrazide is Cc1sc(=O)n(CCn2cc(C(=O)NN)nn2)c1C.
What is the InChIKey of 1-[2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)ethyl]triazole-4-carbohydrazide?
The InChIKey is UPYFACGPYNHJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O2S/c1-6-7(2)19-10(18)16(6)4-3-15-5-8(13-14-15)9(17)12-11/h5H,3-4,11H2,1-2H3,(H,12,17).
What are the key properties of 1-[2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)ethyl]triazole-4-carbohydrazide?
1-[2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)ethyl]triazole-4-carbohydrazide has a molecular weight of 282.33 g/mol, XLogP of -0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)ethyl]triazole-4-carbohydrazide is sourced from PubChem (CID 55213296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).