2-[4-(4,5-dihydro-1,3-thiazol-2-yl)-2,3,5-trifluorophenyl]ethanol

C11H10F3NOS — CID 142782268

IUPAC2-[4-(4,5-dihydro-1,3-thiazol-2-yl)-2,3,5-trifluorophenyl]ethanol
SMILESOCCc1cc(F)c(C2=NCCS2)c(F)c1F
InChIInChI=1S/C11H10F3NOS/c12-7-5-6(1-3-16)9(13)10(14)8(7)11-15-2-4-17-11/h5,16H,1-4H2
InChIKeyFXWQFTQWFIQVOR-UHFFFAOYSA-N
MW261.27 g/mol
LogP2.13
Rot. Bonds3

About 2-[4-(4,5-dihydro-1,3-thiazol-2-yl)-2,3,5-trifluorophenyl]ethanol

2-[4-(4,5-dihydro-1,3-thiazol-2-yl)-2,3,5-trifluorophenyl]ethanol (PubChem CID 142782268) has the molecular formula C11H10F3NOS and a molecular weight of 261.27 g/mol. Its IUPAC name is 2-[4-(4,5-dihydro-1,3-thiazol-2-yl)-2,3,5-trifluorophenyl]ethanol.

Molecular Properties

Compound Name2-[4-(4,5-dihydro-1,3-thiazol-2-yl)-2,3,5-trifluorophenyl]ethanol
PubChem CID142782268
Molecular FormulaC11H10F3NOS
Molecular Weight261.27 g/mol
Exact Mass261.04
IUPAC Name2-[4-(4,5-dihydro-1,3-thiazol-2-yl)-2,3,5-trifluorophenyl]ethanol
SMILESOCCc1cc(F)c(C2=NCCS2)c(F)c1F
InChIInChI=1S/C11H10F3NOS/c12-7-5-6(1-3-16)9(13)10(14)8(7)11-15-2-4-17-11/h5,16H,1-4H2
InChIKeyFXWQFTQWFIQVOR-UHFFFAOYSA-N
XLogP2.13
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4,5-dihydro-1,3-thiazol-2-yl)-2,3,5-trifluorophenyl]ethanol?
The IUPAC name of 2-[4-(4,5-dihydro-1,3-thiazol-2-yl)-2,3,5-trifluorophenyl]ethanol (CID 142782268) is 2-[4-(4,5-dihydro-1,3-thiazol-2-yl)-2,3,5-trifluorophenyl]ethanol.
What is the SMILES notation for 2-[4-(4,5-dihydro-1,3-thiazol-2-yl)-2,3,5-trifluorophenyl]ethanol?
The canonical SMILES for 2-[4-(4,5-dihydro-1,3-thiazol-2-yl)-2,3,5-trifluorophenyl]ethanol is OCCc1cc(F)c(C2=NCCS2)c(F)c1F.
What is the InChIKey of 2-[4-(4,5-dihydro-1,3-thiazol-2-yl)-2,3,5-trifluorophenyl]ethanol?
The InChIKey is FXWQFTQWFIQVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NOS/c12-7-5-6(1-3-16)9(13)10(14)8(7)11-15-2-4-17-11/h5,16H,1-4H2.
What are the key properties of 2-[4-(4,5-dihydro-1,3-thiazol-2-yl)-2,3,5-trifluorophenyl]ethanol?
2-[4-(4,5-dihydro-1,3-thiazol-2-yl)-2,3,5-trifluorophenyl]ethanol has a molecular weight of 261.27 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4,5-dihydro-1,3-thiazol-2-yl)-2,3,5-trifluorophenyl]ethanol is sourced from PubChem (CID 142782268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).