1-thiophen-2-yl-2-[4-[6-(trifluoromethyl)pyridazin-3-yl]morpholin-3-yl]ethanol

C15H16F3N3O2S — CID 133419303

IUPAC1-thiophen-2-yl-2-[4-[6-(trifluoromethyl)pyridazin-3-yl]morpholin-3-yl]ethanol
SMILESOC(CC1COCCN1c1ccc(C(F)(F)F)nn1)c1cccs1
InChIInChI=1S/C15H16F3N3O2S/c16-15(17,18)13-3-4-14(20-19-13)21-5-6-23-9-10(21)8-11(22)12-2-1-7-24-12/h1-4,7,10-11,22H,5-6,8-9H2
InChIKeyVPAHBJKNZKYZCH-UHFFFAOYSA-N
MW359.37 g/mol
LogP2.89
Rot. Bonds4

About 1-thiophen-2-yl-2-[4-[6-(trifluoromethyl)pyridazin-3-yl]morpholin-3-yl]ethanol

1-thiophen-2-yl-2-[4-[6-(trifluoromethyl)pyridazin-3-yl]morpholin-3-yl]ethanol (PubChem CID 133419303) has the molecular formula C15H16F3N3O2S and a molecular weight of 359.37 g/mol. Its IUPAC name is 1-thiophen-2-yl-2-[4-[6-(trifluoromethyl)pyridazin-3-yl]morpholin-3-yl]ethanol.

Molecular Properties

Compound Name1-thiophen-2-yl-2-[4-[6-(trifluoromethyl)pyridazin-3-yl]morpholin-3-yl]ethanol
PubChem CID133419303
Molecular FormulaC15H16F3N3O2S
Molecular Weight359.37 g/mol
Exact Mass359.09
IUPAC Name1-thiophen-2-yl-2-[4-[6-(trifluoromethyl)pyridazin-3-yl]morpholin-3-yl]ethanol
SMILESOC(CC1COCCN1c1ccc(C(F)(F)F)nn1)c1cccs1
InChIInChI=1S/C15H16F3N3O2S/c16-15(17,18)13-3-4-14(20-19-13)21-5-6-23-9-10(21)8-11(22)12-2-1-7-24-12/h1-4,7,10-11,22H,5-6,8-9H2
InChIKeyVPAHBJKNZKYZCH-UHFFFAOYSA-N
XLogP2.89
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[3-(2-hydroxy-2-thiophen-2-ylethyl)morpholin-4-yl]pyrazine-2-carbonitrile
CID 133485968
3-chloro-6-[3-(2-hydroxy-2-thiophen-2-ylethyl)morpholin-4-yl]pyridine-2-carbonitrile
CID 133347824
2-[4-(2-tert-butylpyrimidin-4-yl)morpholin-3-yl]-1-thiophen-2-ylethanol
CID 133347736
N-[[4-[6-(trifluoromethyl)pyridazin-3-yl]morpholin-3-yl]methyl]ethanamine
CID 83105734
2-[4-(1,3-benzothiazol-2-yl)morpholin-3-yl]-1-thiophen-2-ylethanol
CID 133347732
2-[4-(3-bromo-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)morpholin-3-yl]-1-thiophen-2-ylethanol
CID 133347782
2-[4-(3-bromo-5-nitro-2-pyridinyl)morpholin-3-yl]-1-thiophen-2-ylethanol
CID 133347831
(1S)-2-[(3S)-4-(2-pyridin-4-ylethyl)morpholin-3-yl]-1-thiophen-2-ylethanol
CID 124734755
2-[4-[(2,4-difluorophenyl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanol
CID 111976087
6-[2-(2-hydroxy-2-thiophen-2-ylethyl)pyrrolidin-1-yl]pyridazine-3-carbonitrile
CID 133418922
(1R)-2-[(3S)-4-[(2-nitrophenyl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanol
CID 129471112
2-[4-[(2-chloro-1,3-thiazol-5-yl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanol
CID 111976076

Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-yl-2-[4-[6-(trifluoromethyl)pyridazin-3-yl]morpholin-3-yl]ethanol?
The IUPAC name of 1-thiophen-2-yl-2-[4-[6-(trifluoromethyl)pyridazin-3-yl]morpholin-3-yl]ethanol (CID 133419303) is 1-thiophen-2-yl-2-[4-[6-(trifluoromethyl)pyridazin-3-yl]morpholin-3-yl]ethanol.
What is the SMILES notation for 1-thiophen-2-yl-2-[4-[6-(trifluoromethyl)pyridazin-3-yl]morpholin-3-yl]ethanol?
The canonical SMILES for 1-thiophen-2-yl-2-[4-[6-(trifluoromethyl)pyridazin-3-yl]morpholin-3-yl]ethanol is OC(CC1COCCN1c1ccc(C(F)(F)F)nn1)c1cccs1.
What is the InChIKey of 1-thiophen-2-yl-2-[4-[6-(trifluoromethyl)pyridazin-3-yl]morpholin-3-yl]ethanol?
The InChIKey is VPAHBJKNZKYZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O2S/c16-15(17,18)13-3-4-14(20-19-13)21-5-6-23-9-10(21)8-11(22)12-2-1-7-24-12/h1-4,7,10-11,22H,5-6,8-9H2.
What are the key properties of 1-thiophen-2-yl-2-[4-[6-(trifluoromethyl)pyridazin-3-yl]morpholin-3-yl]ethanol?
1-thiophen-2-yl-2-[4-[6-(trifluoromethyl)pyridazin-3-yl]morpholin-3-yl]ethanol has a molecular weight of 359.37 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-yl-2-[4-[6-(trifluoromethyl)pyridazin-3-yl]morpholin-3-yl]ethanol is sourced from PubChem (CID 133419303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).