1-[4-pyridin-3-yl-2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethanol

C17H14F3N3OS — CID 10155711

IUPAC1-[4-pyridin-3-yl-2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethanol
SMILESCC(O)c1sc(Nc2cccc(C(F)(F)F)c2)nc1-c1cccnc1
InChIInChI=1S/C17H14F3N3OS/c1-10(24)15-14(11-4-3-7-21-9-11)23-16(25-15)22-13-6-2-5-12(8-13)17(18,19)20/h2-10,24H,1H3,(H,22,23)
InChIKeySQRVOLOEHOBMNP-UHFFFAOYSA-N
MW365.38 g/mol
LogP5.02
Rot. Bonds4

About 1-[4-pyridin-3-yl-2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethanol

1-[4-pyridin-3-yl-2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethanol (PubChem CID 10155711) has the molecular formula C17H14F3N3OS and a molecular weight of 365.38 g/mol. Its IUPAC name is 1-[4-pyridin-3-yl-2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[4-pyridin-3-yl-2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethanol
PubChem CID10155711
Molecular FormulaC17H14F3N3OS
Molecular Weight365.38 g/mol
Exact Mass365.08
IUPAC Name1-[4-pyridin-3-yl-2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethanol
SMILESCC(O)c1sc(Nc2cccc(C(F)(F)F)c2)nc1-c1cccnc1
InChIInChI=1S/C17H14F3N3OS/c1-10(24)15-14(11-4-3-7-21-9-11)23-16(25-15)22-13-6-2-5-12(8-13)17(18,19)20/h2-10,24H,1H3,(H,22,23)
InChIKeySQRVOLOEHOBMNP-UHFFFAOYSA-N
XLogP5.02
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.38
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-pyridin-3-yl-2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 1-[4-pyridin-3-yl-2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethanol (CID 10155711) is 1-[4-pyridin-3-yl-2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 1-[4-pyridin-3-yl-2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 1-[4-pyridin-3-yl-2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethanol is CC(O)c1sc(Nc2cccc(C(F)(F)F)c2)nc1-c1cccnc1.
What is the InChIKey of 1-[4-pyridin-3-yl-2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethanol?
The InChIKey is SQRVOLOEHOBMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3OS/c1-10(24)15-14(11-4-3-7-21-9-11)23-16(25-15)22-13-6-2-5-12(8-13)17(18,19)20/h2-10,24H,1H3,(H,22,23).
What are the key properties of 1-[4-pyridin-3-yl-2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethanol?
1-[4-pyridin-3-yl-2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethanol has a molecular weight of 365.38 g/mol, XLogP of 5.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-pyridin-3-yl-2-[3-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 10155711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).