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

C10H15F3N4OS — CID 55215204

IUPAC4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
SMILESCC(C)N(Cc1csc(C(=O)NN)n1)CC(F)(F)F
InChIInChI=1S/C10H15F3N4OS/c1-6(2)17(5-10(11,12)13)3-7-4-19-9(15-7)8(18)16-14/h4,6H,3,5,14H2,1-2H3,(H,16,18)
InChIKeyWPVWSRVKBKRLRG-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.52
Rot. Bonds5

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

4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide (PubChem CID 55215204) has the molecular formula C10H15F3N4OS and a molecular weight of 296.32 g/mol. Its IUPAC name is 4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide.

Molecular Properties

Compound Name4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
PubChem CID55215204
Molecular FormulaC10H15F3N4OS
Molecular Weight296.32 g/mol
Exact Mass296.09
IUPAC Name4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
SMILESCC(C)N(Cc1csc(C(=O)NN)n1)CC(F)(F)F
InChIInChI=1S/C10H15F3N4OS/c1-6(2)17(5-10(11,12)13)3-7-4-19-9(15-7)8(18)16-14/h4,6H,3,5,14H2,1-2H3,(H,16,18)
InChIKeyWPVWSRVKBKRLRG-UHFFFAOYSA-N
XLogP1.52
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.52
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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Frequently Asked Questions

What is the IUPAC name of 4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide?
The IUPAC name of 4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide (CID 55215204) is 4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide.
What is the SMILES notation for 4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide?
The canonical SMILES for 4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide is CC(C)N(Cc1csc(C(=O)NN)n1)CC(F)(F)F.
What is the InChIKey of 4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide?
The InChIKey is WPVWSRVKBKRLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4OS/c1-6(2)17(5-10(11,12)13)3-7-4-19-9(15-7)8(18)16-14/h4,6H,3,5,14H2,1-2H3,(H,16,18).
What are the key properties of 4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide?
4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide has a molecular weight of 296.32 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide is sourced from PubChem (CID 55215204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).