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

C10H15F3N4OS — CID 63585223

IUPAC4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
SMILESCCCN(Cc1csc(C(=O)NN)n1)CC(F)(F)F
InChIInChI=1S/C10H15F3N4OS/c1-2-3-17(6-10(11,12)13)4-7-5-19-9(15-7)8(18)16-14/h5H,2-4,6,14H2,1H3,(H,16,18)
InChIKeyQAVZAUKPPVLEBT-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.52
Rot. Bonds6

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

4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide (PubChem CID 63585223) has the molecular formula C10H15F3N4OS and a molecular weight of 296.32 g/mol. Its IUPAC name is 4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide.

Molecular Properties

Compound Name4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
PubChem CID63585223
Molecular FormulaC10H15F3N4OS
Molecular Weight296.32 g/mol
Exact Mass296.09
IUPAC Name4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
SMILESCCCN(Cc1csc(C(=O)NN)n1)CC(F)(F)F
InChIInChI=1S/C10H15F3N4OS/c1-2-3-17(6-10(11,12)13)4-7-5-19-9(15-7)8(18)16-14/h5H,2-4,6,14H2,1H3,(H,16,18)
InChIKeyQAVZAUKPPVLEBT-UHFFFAOYSA-N
XLogP1.52
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
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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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-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 63583366

Frequently Asked Questions

What is the IUPAC name of 4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide?
The IUPAC name of 4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide (CID 63585223) is 4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide.
What is the SMILES notation for 4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide?
The canonical SMILES for 4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide is CCCN(Cc1csc(C(=O)NN)n1)CC(F)(F)F.
What is the InChIKey of 4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide?
The InChIKey is QAVZAUKPPVLEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4OS/c1-2-3-17(6-10(11,12)13)4-7-5-19-9(15-7)8(18)16-14/h5H,2-4,6,14H2,1H3,(H,16,18).
What are the key properties of 4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide?
4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide has a molecular weight of 296.32 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide is sourced from PubChem (CID 63585223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).