4-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide

C9H13F3N4O2S — CID 107493157

IUPAC4-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
SMILESNNC(=O)c1nc(CN(CCO)CC(F)(F)F)cs1
InChIInChI=1S/C9H13F3N4O2S/c10-9(11,12)5-16(1-2-17)3-6-4-19-8(14-6)7(18)15-13/h4,17H,1-3,5,13H2,(H,15,18)
InChIKeyCPCGXXWVEJKKGI-UHFFFAOYSA-N
MW298.29 g/mol
LogP0.10
Rot. Bonds6

About 4-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide

4-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide (PubChem CID 107493157) has the molecular formula C9H13F3N4O2S and a molecular weight of 298.29 g/mol. Its IUPAC name is 4-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide.

Molecular Properties

Compound Name4-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
PubChem CID107493157
Molecular FormulaC9H13F3N4O2S
Molecular Weight298.29 g/mol
Exact Mass298.07
IUPAC Name4-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
SMILESNNC(=O)c1nc(CN(CCO)CC(F)(F)F)cs1
InChIInChI=1S/C9H13F3N4O2S/c10-9(11,12)5-16(1-2-17)3-6-4-19-8(14-6)7(18)15-13/h4,17H,1-3,5,13H2,(H,15,18)
InChIKeyCPCGXXWVEJKKGI-UHFFFAOYSA-N
XLogP0.10
TPSA91.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 50.10
H-Bond Donors ≤ 53
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 4-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide?
The IUPAC name of 4-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide (CID 107493157) is 4-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide.
What is the SMILES notation for 4-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide?
The canonical SMILES for 4-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide is NNC(=O)c1nc(CN(CCO)CC(F)(F)F)cs1.
What is the InChIKey of 4-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide?
The InChIKey is CPCGXXWVEJKKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4O2S/c10-9(11,12)5-16(1-2-17)3-6-4-19-8(14-6)7(18)15-13/h4,17H,1-3,5,13H2,(H,15,18).
What are the key properties of 4-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide?
4-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide has a molecular weight of 298.29 g/mol, XLogP of 0.10, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide is sourced from PubChem (CID 107493157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).