2-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1-benzothiophen-3-ol

C18H10F3NOS2 — CID 2821761

IUPAC2-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1-benzothiophen-3-ol
SMILESOc1c(-c2nc(-c3cccc(C(F)(F)F)c3)cs2)sc2ccccc12
InChIInChI=1S/C18H10F3NOS2/c19-18(20,21)11-5-3-4-10(8-11)13-9-24-17(22-13)16-15(23)12-6-1-2-7-14(12)25-16/h1-9,23H
InChIKeyHLSRNSRRSGZQGK-UHFFFAOYSA-N
MW377.41 g/mol
LogP6.42
Rot. Bonds2

About 2-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1-benzothiophen-3-ol

2-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1-benzothiophen-3-ol (PubChem CID 2821761) has the molecular formula C18H10F3NOS2 and a molecular weight of 377.41 g/mol. Its IUPAC name is 2-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1-benzothiophen-3-ol.

Molecular Properties

Compound Name2-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1-benzothiophen-3-ol
PubChem CID2821761
Molecular FormulaC18H10F3NOS2
Molecular Weight377.41 g/mol
Exact Mass377.02
IUPAC Name2-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1-benzothiophen-3-ol
SMILESOc1c(-c2nc(-c3cccc(C(F)(F)F)c3)cs2)sc2ccccc12
InChIInChI=1S/C18H10F3NOS2/c19-18(20,21)11-5-3-4-10(8-11)13-9-24-17(22-13)16-15(23)12-6-1-2-7-14(12)25-16/h1-9,23H
InChIKeyHLSRNSRRSGZQGK-UHFFFAOYSA-N
XLogP6.42
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.41
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1-benzothiophen-3-ol?
The IUPAC name of 2-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1-benzothiophen-3-ol (CID 2821761) is 2-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1-benzothiophen-3-ol.
What is the SMILES notation for 2-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1-benzothiophen-3-ol?
The canonical SMILES for 2-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1-benzothiophen-3-ol is Oc1c(-c2nc(-c3cccc(C(F)(F)F)c3)cs2)sc2ccccc12.
What is the InChIKey of 2-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1-benzothiophen-3-ol?
The InChIKey is HLSRNSRRSGZQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F3NOS2/c19-18(20,21)11-5-3-4-10(8-11)13-9-24-17(22-13)16-15(23)12-6-1-2-7-14(12)25-16/h1-9,23H.
What are the key properties of 2-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1-benzothiophen-3-ol?
2-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1-benzothiophen-3-ol has a molecular weight of 377.41 g/mol, XLogP of 6.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-1-benzothiophen-3-ol is sourced from PubChem (CID 2821761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).