2-[2-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one

C21H19ClN2O2S2 — CID 71458336

IUPAC2-[2-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(N2C(=O)CSC2c2sc(Cc3ccc(Cl)cc3)nc2C)cc1
InChIInChI=1S/C21H19ClN2O2S2/c1-13-20(28-18(23-13)11-14-3-5-15(22)6-4-14)21-24(19(25)12-27-21)16-7-9-17(26-2)10-8-16/h3-10,21H,11-12H2,1-2H3
InChIKeyJBHADGPAMSVWDE-UHFFFAOYSA-N
MW430.98 g/mol
LogP5.48
Rot. Bonds5

About 2-[2-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one

2-[2-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one (PubChem CID 71458336) has the molecular formula C21H19ClN2O2S2 and a molecular weight of 430.98 g/mol. Its IUPAC name is 2-[2-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[2-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one
PubChem CID71458336
Molecular FormulaC21H19ClN2O2S2
Molecular Weight430.98 g/mol
Exact Mass430.06
IUPAC Name2-[2-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(N2C(=O)CSC2c2sc(Cc3ccc(Cl)cc3)nc2C)cc1
InChIInChI=1S/C21H19ClN2O2S2/c1-13-20(28-18(23-13)11-14-3-5-15(22)6-4-14)21-24(19(25)12-27-21)16-7-9-17(26-2)10-8-16/h3-10,21H,11-12H2,1-2H3
InChIKeyJBHADGPAMSVWDE-UHFFFAOYSA-N
XLogP5.48
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.98
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 4248077
(2S)-2-(4-chlorophenyl)-3-(4-ethylphenyl)-1,3-thiazolidin-4-one
CID 1274537
(2S)-3-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 1274540
2-[(4-methoxyphenyl)methyl]-4-methyl-5-piperidin-4-yl-1,3-thiazole
CID 18187787
3-[4-(4-chlorophenoxy)phenyl]-2-(3-methylphenyl)-1,3-thiazolidin-4-one
CID 25073003
4-chloro-N-[3-[(2R)-3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93125852
3-(4-iodophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 17384306
3-(4-bromophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 3858882
(2R)-3-(4-chlorophenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 1274930
2-(2-chloroquinolin-3-yl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 11100740
2-(4-methoxyphenyl)-3-phenyl-1,3-thiazolidin-4-one
CID 2839840
3-(4-methoxyphenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one
CID 13304116

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-[2-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one (CID 71458336) is 2-[2-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[2-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[2-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one is COc1ccc(N2C(=O)CSC2c2sc(Cc3ccc(Cl)cc3)nc2C)cc1.
What is the InChIKey of 2-[2-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one?
The InChIKey is JBHADGPAMSVWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O2S2/c1-13-20(28-18(23-13)11-14-3-5-15(22)6-4-14)21-24(19(25)12-27-21)16-7-9-17(26-2)10-8-16/h3-10,21H,11-12H2,1-2H3.
What are the key properties of 2-[2-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one?
2-[2-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one has a molecular weight of 430.98 g/mol, XLogP of 5.48, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 71458336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).