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

C8H11F3N4OS — CID 63571833

IUPAC4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
SMILESCN(Cc1csc(C(=O)NN)n1)CC(F)(F)F
InChIInChI=1S/C8H11F3N4OS/c1-15(4-8(9,10)11)2-5-3-17-7(13-5)6(16)14-12/h3H,2,4,12H2,1H3,(H,14,16)
InChIKeyZSLNBINIOCCIRZ-UHFFFAOYSA-N
MW268.26 g/mol
LogP0.74
Rot. Bonds4

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

4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide (PubChem CID 63571833) has the molecular formula C8H11F3N4OS and a molecular weight of 268.26 g/mol. Its IUPAC name is 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide.

Molecular Properties

Compound Name4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
PubChem CID63571833
Molecular FormulaC8H11F3N4OS
Molecular Weight268.26 g/mol
Exact Mass268.06
IUPAC Name4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
SMILESCN(Cc1csc(C(=O)NN)n1)CC(F)(F)F
InChIInChI=1S/C8H11F3N4OS/c1-15(4-8(9,10)11)2-5-3-17-7(13-5)6(16)14-12/h3H,2,4,12H2,1H3,(H,14,16)
InChIKeyZSLNBINIOCCIRZ-UHFFFAOYSA-N
XLogP0.74
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 50.74
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

4-[[2-methoxyethyl(methyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 63577145
N,N-diethyl-2-[[2-(hydrazinecarbonyl)-1,3-thiazol-4-yl]methyl-methylamino]acetamide
CID 63585550
4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 55212863
2-[[2-(hydrazinecarbonyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-propylacetamide
CID 63585474
4-[[methyl(4-methylpentan-2-yl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 63579824
4-[[(2-methoxyphenyl)methyl-methylamino]methyl]-1,3-thiazole-2-carbohydrazide
CID 63585678
4-[[methyl(oxan-3-ylmethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 55227227
4-[(N-ethyl-3-fluoroanilino)methyl]-1,3-thiazole-2-carbohydrazide
CID 63584494
4-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 63584999
4-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 63579115
4-[[cyclopentyl(ethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 63573484
4-[(2-amino-2-methylpropyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide
CID 66229682

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide?
The IUPAC name of 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide (CID 63571833) is 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide.
What is the SMILES notation for 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide?
The canonical SMILES for 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide is CN(Cc1csc(C(=O)NN)n1)CC(F)(F)F.
What is the InChIKey of 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide?
The InChIKey is ZSLNBINIOCCIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4OS/c1-15(4-8(9,10)11)2-5-3-17-7(13-5)6(16)14-12/h3H,2,4,12H2,1H3,(H,14,16).
What are the key properties of 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide?
4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide has a molecular weight of 268.26 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide is sourced from PubChem (CID 63571833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).