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

C9H13F3N4OS — CID 63583366

IUPAC4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
SMILESCCN(Cc1csc(C(=O)NN)n1)CC(F)(F)F
InChIInChI=1S/C9H13F3N4OS/c1-2-16(5-9(10,11)12)3-6-4-18-8(14-6)7(17)15-13/h4H,2-3,5,13H2,1H3,(H,15,17)
InChIKeyNHABJQDVBQWACD-UHFFFAOYSA-N
MW282.29 g/mol
LogP1.13
Rot. Bonds5

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

4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide (PubChem CID 63583366) has the molecular formula C9H13F3N4OS and a molecular weight of 282.29 g/mol. Its IUPAC name is 4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide.

Molecular Properties

Compound Name4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
PubChem CID63583366
Molecular FormulaC9H13F3N4OS
Molecular Weight282.29 g/mol
Exact Mass282.08
IUPAC Name4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
SMILESCCN(Cc1csc(C(=O)NN)n1)CC(F)(F)F
InChIInChI=1S/C9H13F3N4OS/c1-2-16(5-9(10,11)12)3-6-4-18-8(14-6)7(17)15-13/h4H,2-3,5,13H2,1H3,(H,15,17)
InChIKeyNHABJQDVBQWACD-UHFFFAOYSA-N
XLogP1.13
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 51.13
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

2-[(2-Ethyl-1,3-thiazol-4-yl)methyl-methylamino]acetamide
CID 47053575
2-(Trifluoromethyl)thiazole-4-carbohydrazide
CID 89488133
4-(4-Fluoropiperidine-1-carbonyl)thiazole-2-carbohydrazide
CID 121303668
4-(4,4-Difluoropiperidine-1-carbonyl)thiazole-2-carbohydrazide
CID 121304030
N'-(2,2-difluoroacetyl)-2-methyl-1,3-thiazole-4-carbohydrazide
CID 156507588
N-propan-2-yl-4-[[2-[2-(trifluoromethoxy)ethyl]hydrazinyl]methyl]-1,3-thiazole-2-carboxamide
CID 176698613
4-[[Cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 55212279
4-[[Propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 55215204
2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 60957964
2,2,2-trifluoro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 62728794
4-[[Methyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 63571833
4-[[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazole-2-carbohydrazide
CID 63585009

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide?
The IUPAC name of 4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide (CID 63583366) is 4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide.
What is the SMILES notation for 4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide?
The canonical SMILES for 4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide is CCN(Cc1csc(C(=O)NN)n1)CC(F)(F)F.
What is the InChIKey of 4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide?
The InChIKey is NHABJQDVBQWACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4OS/c1-2-16(5-9(10,11)12)3-6-4-18-8(14-6)7(17)15-13/h4H,2-3,5,13H2,1H3,(H,15,17).
What are the key properties of 4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide?
4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide has a molecular weight of 282.29 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide is sourced from PubChem (CID 63583366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).