3-(3-chloro-4-methoxyphenyl)-2-(4-oxochromen-3-yl)-1,3-thiazolidin-4-one

C19H14ClNO4S — CID 6616073

IUPAC3-(3-chloro-4-methoxyphenyl)-2-(4-oxochromen-3-yl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(N2C(=O)CSC2c2coc3ccccc3c2=O)cc1Cl
InChIInChI=1S/C19H14ClNO4S/c1-24-16-7-6-11(8-14(16)20)21-17(22)10-26-19(21)13-9-25-15-5-3-2-4-12(15)18(13)23/h2-9,19H,10H2,1H3
InChIKeyDLNBCECRNZBKJA-UHFFFAOYSA-N
MW387.84 g/mol
LogP4.23
Rot. Bonds3

About 3-(3-chloro-4-methoxyphenyl)-2-(4-oxochromen-3-yl)-1,3-thiazolidin-4-one

3-(3-chloro-4-methoxyphenyl)-2-(4-oxochromen-3-yl)-1,3-thiazolidin-4-one (PubChem CID 6616073) has the molecular formula C19H14ClNO4S and a molecular weight of 387.84 g/mol. Its IUPAC name is 3-(3-chloro-4-methoxyphenyl)-2-(4-oxochromen-3-yl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(3-chloro-4-methoxyphenyl)-2-(4-oxochromen-3-yl)-1,3-thiazolidin-4-one
PubChem CID6616073
Molecular FormulaC19H14ClNO4S
Molecular Weight387.84 g/mol
Exact Mass387.03
IUPAC Name3-(3-chloro-4-methoxyphenyl)-2-(4-oxochromen-3-yl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(N2C(=O)CSC2c2coc3ccccc3c2=O)cc1Cl
InChIInChI=1S/C19H14ClNO4S/c1-24-16-7-6-11(8-14(16)20)21-17(22)10-26-19(21)13-9-25-15-5-3-2-4-12(15)18(13)23/h2-9,19H,10H2,1H3
InChIKeyDLNBCECRNZBKJA-UHFFFAOYSA-N
XLogP4.23
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.84
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-bromothiophen-2-yl)-3-(3-chloro-4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 3288406
3-(1H-benzimidazol-2-yl)-2-(4-oxochromen-3-yl)-1,3-thiazolidin-4-one
CID 132548795
(2R)-3-(4-chlorophenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 1274930
(2S)-3-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 1274540
2-(3-chloro-4-methoxyphenyl)-1-(3-hydroxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852569
2-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 4248077
(2S)-2-(2-chlorophenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one
CID 732386
2-(3-chloro-4-methoxyphenyl)-1-(3-phenoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852229
2-(3-chloro-4-methoxyphenyl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852055
2-(2-chloroquinolin-3-yl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 11100740
(2R)-2-(2-chlorophenyl)-3-(4-fluorophenyl)-1,3-thiazolidin-4-one
CID 27566764
3-(3,4-dichlorophenyl)-2-(3-methylphenyl)-1,3-thiazolidin-4-one
CID 145366980

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methoxyphenyl)-2-(4-oxochromen-3-yl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-(3-chloro-4-methoxyphenyl)-2-(4-oxochromen-3-yl)-1,3-thiazolidin-4-one (CID 6616073) is 3-(3-chloro-4-methoxyphenyl)-2-(4-oxochromen-3-yl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(3-chloro-4-methoxyphenyl)-2-(4-oxochromen-3-yl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(3-chloro-4-methoxyphenyl)-2-(4-oxochromen-3-yl)-1,3-thiazolidin-4-one is COc1ccc(N2C(=O)CSC2c2coc3ccccc3c2=O)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-methoxyphenyl)-2-(4-oxochromen-3-yl)-1,3-thiazolidin-4-one?
The InChIKey is DLNBCECRNZBKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClNO4S/c1-24-16-7-6-11(8-14(16)20)21-17(22)10-26-19(21)13-9-25-15-5-3-2-4-12(15)18(13)23/h2-9,19H,10H2,1H3.
What are the key properties of 3-(3-chloro-4-methoxyphenyl)-2-(4-oxochromen-3-yl)-1,3-thiazolidin-4-one?
3-(3-chloro-4-methoxyphenyl)-2-(4-oxochromen-3-yl)-1,3-thiazolidin-4-one has a molecular weight of 387.84 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methoxyphenyl)-2-(4-oxochromen-3-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 6616073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).