2-amino-2-[6-[4-[2-(2-phenylethoxy)ethoxy]-3-(trifluoromethyl)phenyl]-2H-1,4-thiazin-3-yl]ethanol

C23H25F3N2O3S — CID 143622012

IUPAC2-amino-2-[6-[4-[2-(2-phenylethoxy)ethoxy]-3-(trifluoromethyl)phenyl]-2H-1,4-thiazin-3-yl]ethanol
SMILESNC(CO)C1=NC=C(c2ccc(OCCOCCc3ccccc3)c(C(F)(F)F)c2)SC1
InChIInChI=1S/C23H25F3N2O3S/c24-23(25,26)18-12-17(22-13-28-20(15-32-22)19(27)14-29)6-7-21(18)31-11-10-30-9-8-16-4-2-1-3-5-16/h1-7,12-13,19,29H,8-11,14-15,27H2
InChIKeyALTJYVAIIBLOIO-UHFFFAOYSA-N
MW466.53 g/mol
LogP4.15
Rot. Bonds10

About 2-amino-2-[6-[4-[2-(2-phenylethoxy)ethoxy]-3-(trifluoromethyl)phenyl]-2H-1,4-thiazin-3-yl]ethanol

2-amino-2-[6-[4-[2-(2-phenylethoxy)ethoxy]-3-(trifluoromethyl)phenyl]-2H-1,4-thiazin-3-yl]ethanol (PubChem CID 143622012) has the molecular formula C23H25F3N2O3S and a molecular weight of 466.53 g/mol. Its IUPAC name is 2-amino-2-[6-[4-[2-(2-phenylethoxy)ethoxy]-3-(trifluoromethyl)phenyl]-2H-1,4-thiazin-3-yl]ethanol.

Molecular Properties

Compound Name2-amino-2-[6-[4-[2-(2-phenylethoxy)ethoxy]-3-(trifluoromethyl)phenyl]-2H-1,4-thiazin-3-yl]ethanol
PubChem CID143622012
Molecular FormulaC23H25F3N2O3S
Molecular Weight466.53 g/mol
Exact Mass466.15
IUPAC Name2-amino-2-[6-[4-[2-(2-phenylethoxy)ethoxy]-3-(trifluoromethyl)phenyl]-2H-1,4-thiazin-3-yl]ethanol
SMILESNC(CO)C1=NC=C(c2ccc(OCCOCCc3ccccc3)c(C(F)(F)F)c2)SC1
InChIInChI=1S/C23H25F3N2O3S/c24-23(25,26)18-12-17(22-13-28-20(15-32-22)19(27)14-29)6-7-21(18)31-11-10-30-9-8-16-4-2-1-3-5-16/h1-7,12-13,19,29H,8-11,14-15,27H2
InChIKeyALTJYVAIIBLOIO-UHFFFAOYSA-N
XLogP4.15
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.53
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-amino-2-[6-[4-[2-(2-phenylethoxy)ethoxy]-3-(trifluoromethyl)phenyl]-2H-1,4-thiazin-3-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-2-[5-[4-[2-(2-phenylethoxy)ethoxy]-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]propan-1-ol
CID 24860614
2-amino-2-[2-[3-(trifluoromethyl)-4-[6-[4-(trifluoromethyl)phenyl]hexoxy]phenyl]-6H-1,3,4-thiadiazin-5-yl]ethanol
CID 143622489
(3S)-3-amino-3-[5-[4-[2-(2-phenylethoxy)ethoxy]-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]butanoic acid
CID 59149517
(2S)-3-methyl-2-[5-[4-[2-(2-phenylethoxy)ethoxy]-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]hexan-2-amine
CID 143622009
2-amino-2-[5-[4-[2-[2-(4-methoxyphenyl)ethoxy]ethoxy]-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]propan-1-ol
CID 68537212
2-amino-2-[5-[3-(trifluoromethyl)-4-[4-[3-(trifluoromethyl)phenyl]butoxy]phenyl]-1,3,4-thiadiazol-2-yl]ethanol
CID 143622472
[4-[2-(2,2,2-trifluoroethoxy)ethoxy]-3-(trifluoromethyl)phenyl]methanol
CID 63320753
[2-amino-2-[5-[4-[2-[2-(2-methoxyphenyl)ethoxy]ethoxy]-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]ethyl] dihydrogen phosphite
CID 143621981
(2S)-2-amino-2-[5-[4-(4-phenylbutoxy)-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]propan-1-ol
CID 59384290
(2S)-2-amino-2-[5-[4-[2-[2-(2-methoxyphenyl)ethoxy]ethoxy]-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]propan-1-ol
CID 24861035
N'-(2-amino-3-methylhexyl)-N'-methyl-4-[2-(2-phenylethoxy)ethoxy]-3-(trifluoromethyl)benzenecarbothiohydrazide
CID 143621905
[(2S)-2-amino-2-[5-[4-[2-[2-(4-chlorophenyl)ethoxy]ethoxy]-3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]propyl] dihydrogen phosphate
CID 24860981

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[6-[4-[2-(2-phenylethoxy)ethoxy]-3-(trifluoromethyl)phenyl]-2H-1,4-thiazin-3-yl]ethanol?
The IUPAC name of 2-amino-2-[6-[4-[2-(2-phenylethoxy)ethoxy]-3-(trifluoromethyl)phenyl]-2H-1,4-thiazin-3-yl]ethanol (CID 143622012) is 2-amino-2-[6-[4-[2-(2-phenylethoxy)ethoxy]-3-(trifluoromethyl)phenyl]-2H-1,4-thiazin-3-yl]ethanol.
What is the SMILES notation for 2-amino-2-[6-[4-[2-(2-phenylethoxy)ethoxy]-3-(trifluoromethyl)phenyl]-2H-1,4-thiazin-3-yl]ethanol?
The canonical SMILES for 2-amino-2-[6-[4-[2-(2-phenylethoxy)ethoxy]-3-(trifluoromethyl)phenyl]-2H-1,4-thiazin-3-yl]ethanol is NC(CO)C1=NC=C(c2ccc(OCCOCCc3ccccc3)c(C(F)(F)F)c2)SC1.
What is the InChIKey of 2-amino-2-[6-[4-[2-(2-phenylethoxy)ethoxy]-3-(trifluoromethyl)phenyl]-2H-1,4-thiazin-3-yl]ethanol?
The InChIKey is ALTJYVAIIBLOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N2O3S/c24-23(25,26)18-12-17(22-13-28-20(15-32-22)19(27)14-29)6-7-21(18)31-11-10-30-9-8-16-4-2-1-3-5-16/h1-7,12-13,19,29H,8-11,14-15,27H2.
What are the key properties of 2-amino-2-[6-[4-[2-(2-phenylethoxy)ethoxy]-3-(trifluoromethyl)phenyl]-2H-1,4-thiazin-3-yl]ethanol?
2-amino-2-[6-[4-[2-(2-phenylethoxy)ethoxy]-3-(trifluoromethyl)phenyl]-2H-1,4-thiazin-3-yl]ethanol has a molecular weight of 466.53 g/mol, XLogP of 4.15, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[6-[4-[2-(2-phenylethoxy)ethoxy]-3-(trifluoromethyl)phenyl]-2H-1,4-thiazin-3-yl]ethanol is sourced from PubChem (CID 143622012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).