2-(3,4-dichlorophenyl)-3-[4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one

C22H20Cl2N2O2S2 — CID 10457823

IUPAC2-(3,4-dichlorophenyl)-3-[4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one
SMILESCc1cc(O)c(C(C)C)cc1-c1csc(N2C(=O)CSC2c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C22H20Cl2N2O2S2/c1-11(2)14-8-15(12(3)6-19(14)27)18-9-30-22(25-18)26-20(28)10-29-21(26)13-4-5-16(23)17(24)7-13/h4-9,11,21,27H,10H2,1-3H3
InChIKeyZAPBXNREIAGUKQ-UHFFFAOYSA-N
MW479.45 g/mol
LogP7.03
Rot. Bonds4

About 2-(3,4-dichlorophenyl)-3-[4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one

2-(3,4-dichlorophenyl)-3-[4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one (PubChem CID 10457823) has the molecular formula C22H20Cl2N2O2S2 and a molecular weight of 479.45 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-3-[4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-3-[4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one
PubChem CID10457823
Molecular FormulaC22H20Cl2N2O2S2
Molecular Weight479.45 g/mol
Exact Mass478.03
IUPAC Name2-(3,4-dichlorophenyl)-3-[4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one
SMILESCc1cc(O)c(C(C)C)cc1-c1csc(N2C(=O)CSC2c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C22H20Cl2N2O2S2/c1-11(2)14-8-15(12(3)6-19(14)27)18-9-30-22(25-18)26-20(28)10-29-21(26)13-4-5-16(23)17(24)7-13/h4-9,11,21,27H,10H2,1-3H3
InChIKeyZAPBXNREIAGUKQ-UHFFFAOYSA-N
XLogP7.03
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.45
LogP ≤ 57.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethoxyphenyl)-3-[4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one
CID 10254139
3-[4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]-2-[(E)-3-phenylprop-2-enyl]-1,3-thiazolidin-4-one
CID 10072478
2-[2-(4-chlorophenyl)-3-[4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 10481188
3-[4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]-2-(2-methoxyphenyl)-5-methyl-1,3-thiazolidin-4-one
CID 10049638
2-[3-[4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]-2-(2-hydroxynaphthalen-1-yl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 10414765
2-(3,4-dichlorophenyl)-3-hydroxy-1,3-thiazolidin-4-one
CID 71423757
3-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2-phenyl-1,3-thiazolidin-4-one
CID 46934279
(2S)-3-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 1274540
2-[4-(dimethylamino)phenyl]-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one
CID 4241332
3-(3,4-dichlorophenyl)-2-(3-methylphenyl)-1,3-thiazolidin-4-one
CID 145366980
2-(3,4-dichlorophenyl)-3-[2-(methylamino)ethyl]-1,3-thiazolidin-4-one
CID 42795811
4-chloro-5-methyl-2-propan-2-ylphenol
CID 160599975

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-3-[4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(3,4-dichlorophenyl)-3-[4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one (CID 10457823) is 2-(3,4-dichlorophenyl)-3-[4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-3-[4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(3,4-dichlorophenyl)-3-[4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one is Cc1cc(O)c(C(C)C)cc1-c1csc(N2C(=O)CSC2c2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-3-[4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one?
The InChIKey is ZAPBXNREIAGUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N2O2S2/c1-11(2)14-8-15(12(3)6-19(14)27)18-9-30-22(25-18)26-20(28)10-29-21(26)13-4-5-16(23)17(24)7-13/h4-9,11,21,27H,10H2,1-3H3.
What are the key properties of 2-(3,4-dichlorophenyl)-3-[4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one?
2-(3,4-dichlorophenyl)-3-[4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one has a molecular weight of 479.45 g/mol, XLogP of 7.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-3-[4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 10457823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).