4-hydroxy-5-[[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-2-yl]methyl]-3H-1,3-thiazol-2-one

C20H15F3N2O3S — CID 54495061

IUPAC4-hydroxy-5-[[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-2-yl]methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(O)c(Cc2cc3cc(OCc4ccc(C(F)(F)F)cc4)ccc3[nH]2)s1
InChIInChI=1S/C20H15F3N2O3S/c21-20(22,23)13-3-1-11(2-4-13)10-28-15-5-6-16-12(8-15)7-14(24-16)9-17-18(26)25-19(27)29-17/h1-8,24,26H,9-10H2,(H,25,27)
InChIKeyXYMBAVAJYCKSOH-UHFFFAOYSA-N
MW420.41 g/mol
LogP4.81
Rot. Bonds5

About 4-hydroxy-5-[[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-2-yl]methyl]-3H-1,3-thiazol-2-one

4-hydroxy-5-[[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-2-yl]methyl]-3H-1,3-thiazol-2-one (PubChem CID 54495061) has the molecular formula C20H15F3N2O3S and a molecular weight of 420.41 g/mol. Its IUPAC name is 4-hydroxy-5-[[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-2-yl]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-hydroxy-5-[[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-2-yl]methyl]-3H-1,3-thiazol-2-one
PubChem CID54495061
Molecular FormulaC20H15F3N2O3S
Molecular Weight420.41 g/mol
Exact Mass420.08
IUPAC Name4-hydroxy-5-[[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-2-yl]methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(O)c(Cc2cc3cc(OCc4ccc(C(F)(F)F)cc4)ccc3[nH]2)s1
InChIInChI=1S/C20H15F3N2O3S/c21-20(22,23)13-3-1-11(2-4-13)10-28-15-5-6-16-12(8-15)7-14(24-16)9-17-18(26)25-19(27)29-17/h1-8,24,26H,9-10H2,(H,25,27)
InChIKeyXYMBAVAJYCKSOH-UHFFFAOYSA-N
XLogP4.81
TPSA78.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.41
LogP ≤ 54.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-[[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-2-yl]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-hydroxy-5-[[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-2-yl]methyl]-3H-1,3-thiazol-2-one (CID 54495061) is 4-hydroxy-5-[[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-2-yl]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-hydroxy-5-[[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-2-yl]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-hydroxy-5-[[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-2-yl]methyl]-3H-1,3-thiazol-2-one is O=c1[nH]c(O)c(Cc2cc3cc(OCc4ccc(C(F)(F)F)cc4)ccc3[nH]2)s1.
What is the InChIKey of 4-hydroxy-5-[[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-2-yl]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is XYMBAVAJYCKSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N2O3S/c21-20(22,23)13-3-1-11(2-4-13)10-28-15-5-6-16-12(8-15)7-14(24-16)9-17-18(26)25-19(27)29-17/h1-8,24,26H,9-10H2,(H,25,27).
What are the key properties of 4-hydroxy-5-[[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-2-yl]methyl]-3H-1,3-thiazol-2-one?
4-hydroxy-5-[[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-2-yl]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 420.41 g/mol, XLogP of 4.81, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-[[5-[[4-(trifluoromethyl)phenyl]methoxy]-1H-indol-2-yl]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 54495061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).