3-(naphthalen-2-ylmethyl)-1,3-thiazolidine-2,4-dione

C14H11NO2S — CID 1228097

IUPAC3-(naphthalen-2-ylmethyl)-1,3-thiazolidine-2,4-dione
SMILESO=C1CSC(=O)N1Cc1ccc2ccccc2c1
InChIInChI=1S/C14H11NO2S/c16-13-9-18-14(17)15(13)8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7H,8-9H2
InChIKeyJYHNHQWCKLTSTK-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.04
Rot. Bonds2

About 3-(naphthalen-2-ylmethyl)-1,3-thiazolidine-2,4-dione

3-(naphthalen-2-ylmethyl)-1,3-thiazolidine-2,4-dione (PubChem CID 1228097) has the molecular formula C14H11NO2S and a molecular weight of 257.31 g/mol. Its IUPAC name is 3-(naphthalen-2-ylmethyl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-(naphthalen-2-ylmethyl)-1,3-thiazolidine-2,4-dione
PubChem CID1228097
Molecular FormulaC14H11NO2S
Molecular Weight257.31 g/mol
Exact Mass257.05
IUPAC Name3-(naphthalen-2-ylmethyl)-1,3-thiazolidine-2,4-dione
SMILESO=C1CSC(=O)N1Cc1ccc2ccccc2c1
InChIInChI=1S/C14H11NO2S/c16-13-9-18-14(17)15(13)8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7H,8-9H2
InChIKeyJYHNHQWCKLTSTK-UHFFFAOYSA-N
XLogP3.04
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[4-[(1-methylindol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 22359682
3-[(2-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 3157072
3-[[4-(2-aminooxyethoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride
CID 22370230
2-[4-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenoxy]phenyl]acetic acid
CID 154356336
N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-2-phenoxyacetamide
CID 23125162
3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]-N-(4-ethylphenyl)benzamide
CID 31401224
3-[(6-hydrazinyl-3-pyridinyl)methyl]-1,3-thiazolidine-2,4-dione
CID 62246150
3-[(6-chloro-2-pyridinyl)methyl]-1,3-thiazolidine-2,4-dione
CID 79240657
2-(2,6-difluorophenyl)-3-(naphthalen-2-ylmethyl)-1,3-thiazolidin-4-one
CID 87150899
3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 36714452
3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 55542327
N-(4-bromophenyl)-3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzamide
CID 36704293

Frequently Asked Questions

What is the IUPAC name of 3-(naphthalen-2-ylmethyl)-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-(naphthalen-2-ylmethyl)-1,3-thiazolidine-2,4-dione (CID 1228097) is 3-(naphthalen-2-ylmethyl)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-(naphthalen-2-ylmethyl)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-(naphthalen-2-ylmethyl)-1,3-thiazolidine-2,4-dione is O=C1CSC(=O)N1Cc1ccc2ccccc2c1.
What is the InChIKey of 3-(naphthalen-2-ylmethyl)-1,3-thiazolidine-2,4-dione?
The InChIKey is JYHNHQWCKLTSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2S/c16-13-9-18-14(17)15(13)8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7H,8-9H2.
What are the key properties of 3-(naphthalen-2-ylmethyl)-1,3-thiazolidine-2,4-dione?
3-(naphthalen-2-ylmethyl)-1,3-thiazolidine-2,4-dione has a molecular weight of 257.31 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(naphthalen-2-ylmethyl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 1228097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).