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

C9H12N6O2S — CID 63579208

IUPAC1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl]triazole-4-carbohydrazide
SMILESCc1csc(=O)n1CCn1cc(C(=O)NN)nn1
InChIInChI=1S/C9H12N6O2S/c1-6-5-18-9(17)15(6)3-2-14-4-7(12-13-14)8(16)11-10/h4-5H,2-3,10H2,1H3,(H,11,16)
InChIKeyFTLOIZOUPCMNHO-UHFFFAOYSA-N
MW268.30 g/mol
LogP-0.89
Rot. Bonds4

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

1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl]triazole-4-carbohydrazide (PubChem CID 63579208) has the molecular formula C9H12N6O2S and a molecular weight of 268.30 g/mol. Its IUPAC name is 1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl]triazole-4-carbohydrazide.

Molecular Properties

Compound Name1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl]triazole-4-carbohydrazide
PubChem CID63579208
Molecular FormulaC9H12N6O2S
Molecular Weight268.30 g/mol
Exact Mass268.07
IUPAC Name1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl]triazole-4-carbohydrazide
SMILESCc1csc(=O)n1CCn1cc(C(=O)NN)nn1
InChIInChI=1S/C9H12N6O2S/c1-6-5-18-9(17)15(6)3-2-14-4-7(12-13-14)8(16)11-10/h4-5H,2-3,10H2,1H3,(H,11,16)
InChIKeyFTLOIZOUPCMNHO-UHFFFAOYSA-N
XLogP-0.89
TPSA107.83 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 5-0.89
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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Related Compounds

1-[2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)ethyl]triazole-4-carbohydrazide
CID 79371593
1-(2-methoxyethyl)triazole-4-carbohydrazide
CID 63587191
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 60669041
1-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]triazole-4-carbohydrazide
CID 63573939
1-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]triazole-4-carbohydrazide
CID 55214791
1-[2-(2-oxopiperidin-1-yl)ethyl]triazole-4-carbohydrazide
CID 63579377
1-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]triazole-4-carbohydrazide
CID 79164963
1-[2-(2-methoxyethylsulfanyl)ethyl]triazole-4-carbohydrazide
CID 63580485
1-[2-(4-methylpentan-2-yloxy)ethyl]triazole-4-carbohydrazide
CID 63574398
1-[2-(3-amino-2-methylpropyl)sulfanylethyl]triazole-4-carbohydrazide
CID 66224490
1-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]triazole-4-carbohydrazide
CID 63572290
1-[2-(5-bromo-2,4-dioxopyrimidin-1-yl)ethyl]triazole-4-carbohydrazide
CID 63778164

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl]triazole-4-carbohydrazide?
The IUPAC name of 1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl]triazole-4-carbohydrazide (CID 63579208) is 1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl]triazole-4-carbohydrazide.
What is the SMILES notation for 1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl]triazole-4-carbohydrazide?
The canonical SMILES for 1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl]triazole-4-carbohydrazide is Cc1csc(=O)n1CCn1cc(C(=O)NN)nn1.
What is the InChIKey of 1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl]triazole-4-carbohydrazide?
The InChIKey is FTLOIZOUPCMNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O2S/c1-6-5-18-9(17)15(6)3-2-14-4-7(12-13-14)8(16)11-10/h4-5H,2-3,10H2,1H3,(H,11,16).
What are the key properties of 1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl]triazole-4-carbohydrazide?
1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl]triazole-4-carbohydrazide has a molecular weight of 268.30 g/mol, XLogP of -0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl]triazole-4-carbohydrazide is sourced from PubChem (CID 63579208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).