2-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol

C8H13F3N4OS — CID 107486372

IUPAC2-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESNNc1ncc(CN(CCO)CC(F)(F)F)s1
InChIInChI=1S/C8H13F3N4OS/c9-8(10,11)5-15(1-2-16)4-6-3-13-7(14-12)17-6/h3,16H,1-2,4-5,12H2,(H,13,14)
InChIKeyOTAGGXGLYZOEQJ-UHFFFAOYSA-N
MW270.28 g/mol
LogP0.79
Rot. Bonds6

About 2-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol

2-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107486372) has the molecular formula C8H13F3N4OS and a molecular weight of 270.28 g/mol. Its IUPAC name is 2-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107486372
Molecular FormulaC8H13F3N4OS
Molecular Weight270.28 g/mol
Exact Mass270.08
IUPAC Name2-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
SMILESNNc1ncc(CN(CCO)CC(F)(F)F)s1
InChIInChI=1S/C8H13F3N4OS/c9-8(10,11)5-15(1-2-16)4-6-3-13-7(14-12)17-6/h3,16H,1-2,4-5,12H2,(H,13,14)
InChIKeyOTAGGXGLYZOEQJ-UHFFFAOYSA-N
XLogP0.79
TPSA74.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(propylamino)-1,3-thiazol-5-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107486285
N-ethyl-N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 79765675
2-[ethyl-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]amino]ethanol
CID 79771258
5-[[2,2,2-trifluoroethyl(3,3,3-trifluoropropyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120905607
2-[(5-bromothiophen-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 103856868
2-[ethyl-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]amino]acetamide
CID 103104146
N-ethyl-N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 79765022
5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine
CID 79772688
N,2-diethyl-N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]butan-1-amine
CID 79765011
3-[5-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]thiophen-2-yl]prop-2-yn-1-ol
CID 107484908
5-[[2-methylpropyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120898883
N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-3-methoxy-N-methylpropan-1-amine
CID 79764263

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol (CID 107486372) is 2-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol is NNc1ncc(CN(CCO)CC(F)(F)F)s1.
What is the InChIKey of 2-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is OTAGGXGLYZOEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N4OS/c9-8(10,11)5-15(1-2-16)4-6-3-13-7(14-12)17-6/h3,16H,1-2,4-5,12H2,(H,13,14).
What are the key properties of 2-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?
2-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 270.28 g/mol, XLogP of 0.79, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107486372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).