5-[[6,6-dimethyl-8-oxo-4-(1,3-thiazol-2-yl)-5,7-dihydronaphthalen-1-yl]sulfanylmethyl]-1,3-oxazolidin-2-one

C19H20N2O3S2 — CID 22120372

IUPAC5-[[6,6-dimethyl-8-oxo-4-(1,3-thiazol-2-yl)-5,7-dihydronaphthalen-1-yl]sulfanylmethyl]-1,3-oxazolidin-2-one
SMILESCC1(C)CC(=O)c2c(SCC3CNC(=O)O3)ccc(-c3nccs3)c2C1
InChIInChI=1S/C19H20N2O3S2/c1-19(2)7-13-12(17-20-5-6-25-17)3-4-15(16(13)14(22)8-19)26-10-11-9-21-18(23)24-11/h3-6,11H,7-10H2,1-2H3,(H,21,23)
InChIKeyLIOVIRAKMYMGSD-UHFFFAOYSA-N
MW388.51 g/mol
LogP4.17
Rot. Bonds4

About 5-[[6,6-dimethyl-8-oxo-4-(1,3-thiazol-2-yl)-5,7-dihydronaphthalen-1-yl]sulfanylmethyl]-1,3-oxazolidin-2-one

5-[[6,6-dimethyl-8-oxo-4-(1,3-thiazol-2-yl)-5,7-dihydronaphthalen-1-yl]sulfanylmethyl]-1,3-oxazolidin-2-one (PubChem CID 22120372) has the molecular formula C19H20N2O3S2 and a molecular weight of 388.51 g/mol. Its IUPAC name is 5-[[6,6-dimethyl-8-oxo-4-(1,3-thiazol-2-yl)-5,7-dihydronaphthalen-1-yl]sulfanylmethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[[6,6-dimethyl-8-oxo-4-(1,3-thiazol-2-yl)-5,7-dihydronaphthalen-1-yl]sulfanylmethyl]-1,3-oxazolidin-2-one
PubChem CID22120372
Molecular FormulaC19H20N2O3S2
Molecular Weight388.51 g/mol
Exact Mass388.09
IUPAC Name5-[[6,6-dimethyl-8-oxo-4-(1,3-thiazol-2-yl)-5,7-dihydronaphthalen-1-yl]sulfanylmethyl]-1,3-oxazolidin-2-one
SMILESCC1(C)CC(=O)c2c(SCC3CNC(=O)O3)ccc(-c3nccs3)c2C1
InChIInChI=1S/C19H20N2O3S2/c1-19(2)7-13-12(17-20-5-6-25-17)3-4-15(16(13)14(22)8-19)26-10-11-9-21-18(23)24-11/h3-6,11H,7-10H2,1-2H3,(H,21,23)
InChIKeyLIOVIRAKMYMGSD-UHFFFAOYSA-N
XLogP4.17
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[6,6-dimethyl-8-oxo-4-(1,3-thiazol-2-yl)-5,7-dihydronaphthalen-1-yl]sulfanylmethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[[6,6-dimethyl-8-oxo-4-(1,3-thiazol-2-yl)-5,7-dihydronaphthalen-1-yl]sulfanylmethyl]-1,3-oxazolidin-2-one (CID 22120372) is 5-[[6,6-dimethyl-8-oxo-4-(1,3-thiazol-2-yl)-5,7-dihydronaphthalen-1-yl]sulfanylmethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[[6,6-dimethyl-8-oxo-4-(1,3-thiazol-2-yl)-5,7-dihydronaphthalen-1-yl]sulfanylmethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[[6,6-dimethyl-8-oxo-4-(1,3-thiazol-2-yl)-5,7-dihydronaphthalen-1-yl]sulfanylmethyl]-1,3-oxazolidin-2-one is CC1(C)CC(=O)c2c(SCC3CNC(=O)O3)ccc(-c3nccs3)c2C1.
What is the InChIKey of 5-[[6,6-dimethyl-8-oxo-4-(1,3-thiazol-2-yl)-5,7-dihydronaphthalen-1-yl]sulfanylmethyl]-1,3-oxazolidin-2-one?
The InChIKey is LIOVIRAKMYMGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S2/c1-19(2)7-13-12(17-20-5-6-25-17)3-4-15(16(13)14(22)8-19)26-10-11-9-21-18(23)24-11/h3-6,11H,7-10H2,1-2H3,(H,21,23).
What are the key properties of 5-[[6,6-dimethyl-8-oxo-4-(1,3-thiazol-2-yl)-5,7-dihydronaphthalen-1-yl]sulfanylmethyl]-1,3-oxazolidin-2-one?
5-[[6,6-dimethyl-8-oxo-4-(1,3-thiazol-2-yl)-5,7-dihydronaphthalen-1-yl]sulfanylmethyl]-1,3-oxazolidin-2-one has a molecular weight of 388.51 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6,6-dimethyl-8-oxo-4-(1,3-thiazol-2-yl)-5,7-dihydronaphthalen-1-yl]sulfanylmethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 22120372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).