5-[(1R)-6-(4-isocyanophenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazolidine-2,4-dione

C20H16N2O3S — CID 58005335

IUPAC5-[(1R)-6-(4-isocyanophenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazolidine-2,4-dione
SMILES[C-]#[N+]c1ccc(Oc2ccc3c(c2)CCC[C@H]3C2SC(=O)NC2=O)cc1
InChIInChI=1S/C20H16N2O3S/c1-21-13-5-7-14(8-6-13)25-15-9-10-16-12(11-15)3-2-4-17(16)18-19(23)22-20(24)26-18/h5-11,17-18H,2-4H2,(H,22,23,24)/t17-,18?/m1/s1
InChIKeyNVISWVNYEAZVGV-QNSVNVJESA-N
MW364.43 g/mol
LogP4.80
Rot. Bonds3

About 5-[(1R)-6-(4-isocyanophenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazolidine-2,4-dione

5-[(1R)-6-(4-isocyanophenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazolidine-2,4-dione (PubChem CID 58005335) has the molecular formula C20H16N2O3S and a molecular weight of 364.43 g/mol. Its IUPAC name is 5-[(1R)-6-(4-isocyanophenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(1R)-6-(4-isocyanophenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazolidine-2,4-dione
PubChem CID58005335
Molecular FormulaC20H16N2O3S
Molecular Weight364.43 g/mol
Exact Mass364.09
IUPAC Name5-[(1R)-6-(4-isocyanophenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazolidine-2,4-dione
SMILES[C-]#[N+]c1ccc(Oc2ccc3c(c2)CCC[C@H]3C2SC(=O)NC2=O)cc1
InChIInChI=1S/C20H16N2O3S/c1-21-13-5-7-14(8-6-13)25-15-9-10-16-12(11-15)3-2-4-17(16)18-19(23)22-20(24)26-18/h5-11,17-18H,2-4H2,(H,22,23,24)/t17-,18?/m1/s1
InChIKeyNVISWVNYEAZVGV-QNSVNVJESA-N
XLogP4.80
TPSA59.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

5-[(1R)-6-(2-bromo-4-isocyanophenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazolidine-2,4-dione
CID 58005447
5-[(1R)-5-[4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione
CID 58005292
5-[(1R)-6-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazolidine-2,4-dione
CID 11596653
5-[(1R)-5-[(2-nitro-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione
CID 24951976
5-[(1R)-5-(4-methylphthalazin-1-yl)oxy-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione
CID 58034264
5-[(1R)-5-(7-chloroquinolin-4-yl)oxy-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione
CID 24955535
5-[(1R)-5-[2-chloro-4-[(dimethylamino)methyl]phenoxy]-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione
CID 11596862
5-[(1R)-5-[(3-chloro-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione;(2Z)-2-ethylidene-5-[(1R)-5-pyridin-4-yloxy-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidin-4-one
CID 143665432
5-[(1R)-5-[(3S)-1-(3,5-difluorophenyl)piperidin-3-yl]oxy-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-2,4-dione
CID 58565958
(5S)-5-[(1R)-6-[2,5-dimethyl-4-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-oxazolidine-2,4-dione
CID 58005332
(5R)-5-[(1R)-6-(4-aminonaphthalen-1-yl)oxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-oxazolidine-2,4-dione
CID 89154929
5-[(1R)-5-[4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]-1,3-oxazolidine-2,4-dione
CID 58005460

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-6-(4-isocyanophenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[(1R)-6-(4-isocyanophenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazolidine-2,4-dione (CID 58005335) is 5-[(1R)-6-(4-isocyanophenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[(1R)-6-(4-isocyanophenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[(1R)-6-(4-isocyanophenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazolidine-2,4-dione is [C-]#[N+]c1ccc(Oc2ccc3c(c2)CCC[C@H]3C2SC(=O)NC2=O)cc1.
What is the InChIKey of 5-[(1R)-6-(4-isocyanophenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazolidine-2,4-dione?
The InChIKey is NVISWVNYEAZVGV-QNSVNVJESA-N. The full InChI is InChI=1S/C20H16N2O3S/c1-21-13-5-7-14(8-6-13)25-15-9-10-16-12(11-15)3-2-4-17(16)18-19(23)22-20(24)26-18/h5-11,17-18H,2-4H2,(H,22,23,24)/t17-,18?/m1/s1.
What are the key properties of 5-[(1R)-6-(4-isocyanophenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazolidine-2,4-dione?
5-[(1R)-6-(4-isocyanophenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazolidine-2,4-dione has a molecular weight of 364.43 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-6-(4-isocyanophenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 58005335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).