5-[(1R)-5-[2-chloro-4-(1,2,2,2-tetrafluoroethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-3H-1,3-thiazol-2-one

C20H14ClF4NO3S — CID 91559859

IUPAC5-[(1R)-5-[2-chloro-4-(1,2,2,2-tetrafluoroethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(O)c([C@@H]2CCc3cc(Oc4ccc(C(F)C(F)(F)F)cc4Cl)ccc32)s1
InChIInChI=1S/C20H14ClF4NO3S/c21-14-8-10(17(22)20(23,24)25)2-6-15(14)29-11-3-5-12-9(7-11)1-4-13(12)16-18(27)26-19(28)30-16/h2-3,5-8,13,17,27H,1,4H2,(H,26,28)/t13-,17?/m1/s1
InChIKeySZDCVQVRHXRMHE-FWJOYPJLSA-N
MW459.85 g/mol
LogP6.24
Rot. Bonds4

About 5-[(1R)-5-[2-chloro-4-(1,2,2,2-tetrafluoroethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-3H-1,3-thiazol-2-one

5-[(1R)-5-[2-chloro-4-(1,2,2,2-tetrafluoroethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-3H-1,3-thiazol-2-one (PubChem CID 91559859) has the molecular formula C20H14ClF4NO3S and a molecular weight of 459.85 g/mol. Its IUPAC name is 5-[(1R)-5-[2-chloro-4-(1,2,2,2-tetrafluoroethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name5-[(1R)-5-[2-chloro-4-(1,2,2,2-tetrafluoroethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-3H-1,3-thiazol-2-one
PubChem CID91559859
Molecular FormulaC20H14ClF4NO3S
Molecular Weight459.85 g/mol
Exact Mass459.03
IUPAC Name5-[(1R)-5-[2-chloro-4-(1,2,2,2-tetrafluoroethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(O)c([C@@H]2CCc3cc(Oc4ccc(C(F)C(F)(F)F)cc4Cl)ccc32)s1
InChIInChI=1S/C20H14ClF4NO3S/c21-14-8-10(17(22)20(23,24)25)2-6-15(14)29-11-3-5-12-9(7-11)1-4-13(12)16-18(27)26-19(28)30-16/h2-3,5-8,13,17,27H,1,4H2,(H,26,28)/t13-,17?/m1/s1
InChIKeySZDCVQVRHXRMHE-FWJOYPJLSA-N
XLogP6.24
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.85
LogP ≤ 56.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[(1R)-5-[2-chloro-4-(1,2,2,2-tetrafluoroethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-3H-1,3-thiazol-2-one with MolForge

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Related Compounds

5-[(1R)-5-[2-chloro-5-methyl-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-3H-1,3-thiazol-2-one
CID 91331964
4-hydroxy-5-[(1R)-5-[2-(trifluoromethoxy)phenoxy]-2,3-dihydro-1H-inden-1-yl]-3H-1,3-thiazol-2-one
CID 91477940
5-[(1R)-5-[2-(aminomethyl)-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-3H-1,3-thiazol-2-one
CID 91141545
4-hydroxy-5-[(1R)-6-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-3H-1,3-thiazol-2-one
CID 90831179
5-[5-[1-(3,5-difluorophenyl)piperidin-3-yl]oxy-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-3H-1,3-thiazol-2-one
CID 90941379
4-hydroxy-5-[(4R)-7-(4-isocyanonaphthalen-1-yl)oxy-3,4-dihydro-2H-chromen-4-yl]-3H-1,3-thiazol-2-one
CID 91586243
(5S)-5-[(1R)-5-[2-chloro-4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]-1,3-oxazolidine-2,4-dione
CID 58005316
5-[(1R)-5-(2-chloro-4-hydroxyphenoxy)-2,3-dihydro-1H-inden-1-yl]-1,3-oxazolidine-2,4-dione
CID 143273994
2-[(1R)-6-[2-chloro-4-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-hydroxyacetic acid
CID 24984075
5-[[(1R)-1-(4-hydroxy-2-oxo-3H-1,3-oxazol-5-yl)-2,3-dihydro-1H-inden-5-yl]oxy]-2-(trifluoromethyl)benzonitrile
CID 91207413
2-[(1S)-5-(4-carbamoyl-2-chlorophenoxy)-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 24985556
5-[(1R)-5-[2-chloro-4-[(dimethylamino)methyl]phenoxy]-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione
CID 11596862

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-5-[2-chloro-4-(1,2,2,2-tetrafluoroethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-3H-1,3-thiazol-2-one?
The IUPAC name of 5-[(1R)-5-[2-chloro-4-(1,2,2,2-tetrafluoroethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-3H-1,3-thiazol-2-one (CID 91559859) is 5-[(1R)-5-[2-chloro-4-(1,2,2,2-tetrafluoroethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-3H-1,3-thiazol-2-one.
What is the SMILES notation for 5-[(1R)-5-[2-chloro-4-(1,2,2,2-tetrafluoroethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-3H-1,3-thiazol-2-one?
The canonical SMILES for 5-[(1R)-5-[2-chloro-4-(1,2,2,2-tetrafluoroethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-3H-1,3-thiazol-2-one is O=c1[nH]c(O)c([C@@H]2CCc3cc(Oc4ccc(C(F)C(F)(F)F)cc4Cl)ccc32)s1.
What is the InChIKey of 5-[(1R)-5-[2-chloro-4-(1,2,2,2-tetrafluoroethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-3H-1,3-thiazol-2-one?
The InChIKey is SZDCVQVRHXRMHE-FWJOYPJLSA-N. The full InChI is InChI=1S/C20H14ClF4NO3S/c21-14-8-10(17(22)20(23,24)25)2-6-15(14)29-11-3-5-12-9(7-11)1-4-13(12)16-18(27)26-19(28)30-16/h2-3,5-8,13,17,27H,1,4H2,(H,26,28)/t13-,17?/m1/s1.
What are the key properties of 5-[(1R)-5-[2-chloro-4-(1,2,2,2-tetrafluoroethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-3H-1,3-thiazol-2-one?
5-[(1R)-5-[2-chloro-4-(1,2,2,2-tetrafluoroethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-3H-1,3-thiazol-2-one has a molecular weight of 459.85 g/mol, XLogP of 6.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-5-[2-chloro-4-(1,2,2,2-tetrafluoroethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-3H-1,3-thiazol-2-one is sourced from PubChem (CID 91559859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).