5-[ethyl(methyl)amino]-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide

C8H11F3N4OS — CID 154040324

IUPAC5-[ethyl(methyl)amino]-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide
SMILESCCN(C)c1sc(C(F)(F)F)nc1C(=O)NN
InChIInChI=1S/C8H11F3N4OS/c1-3-15(2)6-4(5(16)14-12)13-7(17-6)8(9,10)11/h3,12H2,1-2H3,(H,14,16)
InChIKeyXXZIZVPJQZGVIU-UHFFFAOYSA-N
MW268.26 g/mol
LogP1.22
Rot. Bonds3

About 5-[ethyl(methyl)amino]-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide

5-[ethyl(methyl)amino]-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide (PubChem CID 154040324) has the molecular formula C8H11F3N4OS and a molecular weight of 268.26 g/mol. Its IUPAC name is 5-[ethyl(methyl)amino]-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound Name5-[ethyl(methyl)amino]-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide
PubChem CID154040324
Molecular FormulaC8H11F3N4OS
Molecular Weight268.26 g/mol
Exact Mass268.06
IUPAC Name5-[ethyl(methyl)amino]-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide
SMILESCCN(C)c1sc(C(F)(F)F)nc1C(=O)NN
InChIInChI=1S/C8H11F3N4OS/c1-3-15(2)6-4(5(16)14-12)13-7(17-6)8(9,10)11/h3,12H2,1-2H3,(H,14,16)
InChIKeyXXZIZVPJQZGVIU-UHFFFAOYSA-N
XLogP1.22
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

5-(3-Oxomorpholin-4-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide
CID 126482666
5-Morpholin-4-yl-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide
CID 137355678
Ethane;5-(3-oxomorpholin-4-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide
CID 142553274
5-[Methyl-[2-(2-oxoethoxy)ethyl]amino]-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide
CID 167159314
2-Methyl-5-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 161101698

Frequently Asked Questions

What is the IUPAC name of 5-[ethyl(methyl)amino]-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide?
The IUPAC name of 5-[ethyl(methyl)amino]-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide (CID 154040324) is 5-[ethyl(methyl)amino]-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for 5-[ethyl(methyl)amino]-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for 5-[ethyl(methyl)amino]-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide is CCN(C)c1sc(C(F)(F)F)nc1C(=O)NN.
What is the InChIKey of 5-[ethyl(methyl)amino]-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide?
The InChIKey is XXZIZVPJQZGVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4OS/c1-3-15(2)6-4(5(16)14-12)13-7(17-6)8(9,10)11/h3,12H2,1-2H3,(H,14,16).
What are the key properties of 5-[ethyl(methyl)amino]-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide?
5-[ethyl(methyl)amino]-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide has a molecular weight of 268.26 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl(methyl)amino]-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 154040324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).