2-[(3-amino-4-methoxy-1,2-thiazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol

C8H12F3N3O2S — CID 107495546

IUPAC2-[(3-amino-4-methoxy-1,2-thiazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCOc1c(N)nsc1N(CCO)CC(F)(F)F
InChIInChI=1S/C8H12F3N3O2S/c1-16-5-6(12)13-17-7(5)14(2-3-15)4-8(9,10)11/h15H,2-4H2,1H3,(H2,12,13)
InChIKeyCHCNGMCVNVAQQT-UHFFFAOYSA-N
MW271.26 g/mol
LogP1.09
Rot. Bonds5

About 2-[(3-amino-4-methoxy-1,2-thiazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol

2-[(3-amino-4-methoxy-1,2-thiazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107495546) has the molecular formula C8H12F3N3O2S and a molecular weight of 271.26 g/mol. Its IUPAC name is 2-[(3-amino-4-methoxy-1,2-thiazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(3-amino-4-methoxy-1,2-thiazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107495546
Molecular FormulaC8H12F3N3O2S
Molecular Weight271.26 g/mol
Exact Mass271.06
IUPAC Name2-[(3-amino-4-methoxy-1,2-thiazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCOc1c(N)nsc1N(CCO)CC(F)(F)F
InChIInChI=1S/C8H12F3N3O2S/c1-16-5-6(12)13-17-7(5)14(2-3-15)4-8(9,10)11/h15H,2-4H2,1H3,(H2,12,13)
InChIKeyCHCNGMCVNVAQQT-UHFFFAOYSA-N
XLogP1.09
TPSA71.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.26
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-N,5-N-bis(cyclopropylmethyl)-4-methoxy-1,2-thiazole-3,5-diamine
CID 103382051
2-[(3-amino-4-methoxy-1,2-thiazol-5-yl)-propylamino]-N-methylacetamide
CID 103380513
2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)-methylamino]ethanol
CID 103360625
2-[(3-ethyl-1,2,4-thiadiazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484410
2-[2-amino-5-methoxy-N-(2,2,2-trifluoroethyl)anilino]ethanol
CID 107478362
3-amino-5-[ethyl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-carbonitrile
CID 103379711
5-N-(2-ethoxyethyl)-4-methoxy-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103383373
4-phenyl-5-N-propyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103379725
2-[(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)-(2-hydroxyethyl)amino]ethanol
CID 103360672
3-amino-5-[ethyl(2-hydroxyethyl)amino]-1,2-thiazole-4-carboxamide
CID 103379626
2-[4-amino-N-(2,2,2-trifluoroethyl)anilino]ethanol
CID 107478278
2-[(6-amino-2-methylpyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107495365

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4-methoxy-1,2-thiazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[(3-amino-4-methoxy-1,2-thiazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol (CID 107495546) is 2-[(3-amino-4-methoxy-1,2-thiazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(3-amino-4-methoxy-1,2-thiazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(3-amino-4-methoxy-1,2-thiazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol is COc1c(N)nsc1N(CCO)CC(F)(F)F.
What is the InChIKey of 2-[(3-amino-4-methoxy-1,2-thiazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is CHCNGMCVNVAQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O2S/c1-16-5-6(12)13-17-7(5)14(2-3-15)4-8(9,10)11/h15H,2-4H2,1H3,(H2,12,13).
What are the key properties of 2-[(3-amino-4-methoxy-1,2-thiazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
2-[(3-amino-4-methoxy-1,2-thiazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 271.26 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-4-methoxy-1,2-thiazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107495546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).