5-propan-2-yl-2-[[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]-1,3-thiazol-4-ol

C15H17F3N2OS — CID 91286226

IUPAC5-propan-2-yl-2-[[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]-1,3-thiazol-4-ol
SMILESCC(C)c1sc(N[C@@H](C)c2cccc(C(F)(F)F)c2)nc1O
InChIInChI=1S/C15H17F3N2OS/c1-8(2)12-13(21)20-14(22-12)19-9(3)10-5-4-6-11(7-10)15(16,17)18/h4-9,21H,1-3H3,(H,19,20)/t9-/m0/s1
InChIKeyFYZOTJINSLZLQS-VIFPVBQESA-N
MW330.38 g/mol
LogP5.16
Rot. Bonds4

About 5-propan-2-yl-2-[[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]-1,3-thiazol-4-ol

5-propan-2-yl-2-[[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]-1,3-thiazol-4-ol (PubChem CID 91286226) has the molecular formula C15H17F3N2OS and a molecular weight of 330.38 g/mol. Its IUPAC name is 5-propan-2-yl-2-[[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]-1,3-thiazol-4-ol.

Molecular Properties

Compound Name5-propan-2-yl-2-[[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]-1,3-thiazol-4-ol
PubChem CID91286226
Molecular FormulaC15H17F3N2OS
Molecular Weight330.38 g/mol
Exact Mass330.10
IUPAC Name5-propan-2-yl-2-[[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]-1,3-thiazol-4-ol
SMILESCC(C)c1sc(N[C@@H](C)c2cccc(C(F)(F)F)c2)nc1O
InChIInChI=1S/C15H17F3N2OS/c1-8(2)12-13(21)20-14(22-12)19-9(3)10-5-4-6-11(7-10)15(16,17)18/h4-9,21H,1-3H3,(H,19,20)/t9-/m0/s1
InChIKeyFYZOTJINSLZLQS-VIFPVBQESA-N
XLogP5.16
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.38
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-propan-2-yl-2-[[(1S)-2,2,2-trifluoro-1-phenylethyl]amino]-1,3-thiazol-4-ol
CID 91279305
5-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1,3,4-thiadiazol-2-amine
CID 107647887
N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]hydroxylamine
CID 124574091
4-bromo-N-[1-[3-(trifluoromethyl)phenyl]ethyl]aniline
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2-amino-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 62788576
2,4-difluoro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]aniline
CID 43107244
2-[[1-[3-(trifluoromethyl)phenyl]ethylamino]methyl]phenol
CID 43723801
3-chloro-4-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]aniline
CID 43107164
2-bromo-5-fluoro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]aniline
CID 107633051
6-nitro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 146125546
2,2-difluoro-3-[1-[3-(trifluoromethyl)phenyl]ethylamino]propan-1-ol
CID 104860556
2-bromo-4-fluoro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]aniline
CID 43119400

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-2-[[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]-1,3-thiazol-4-ol?
The IUPAC name of 5-propan-2-yl-2-[[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]-1,3-thiazol-4-ol (CID 91286226) is 5-propan-2-yl-2-[[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]-1,3-thiazol-4-ol.
What is the SMILES notation for 5-propan-2-yl-2-[[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]-1,3-thiazol-4-ol?
The canonical SMILES for 5-propan-2-yl-2-[[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]-1,3-thiazol-4-ol is CC(C)c1sc(N[C@@H](C)c2cccc(C(F)(F)F)c2)nc1O.
What is the InChIKey of 5-propan-2-yl-2-[[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]-1,3-thiazol-4-ol?
The InChIKey is FYZOTJINSLZLQS-VIFPVBQESA-N. The full InChI is InChI=1S/C15H17F3N2OS/c1-8(2)12-13(21)20-14(22-12)19-9(3)10-5-4-6-11(7-10)15(16,17)18/h4-9,21H,1-3H3,(H,19,20)/t9-/m0/s1.
What are the key properties of 5-propan-2-yl-2-[[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]-1,3-thiazol-4-ol?
5-propan-2-yl-2-[[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]-1,3-thiazol-4-ol has a molecular weight of 330.38 g/mol, XLogP of 5.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-2-[[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]-1,3-thiazol-4-ol is sourced from PubChem (CID 91286226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).