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

C24H23ClN2O4S2 — CID 10481188

IUPAC2-[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
SMILESCc1cc(O)c(C(C)C)cc1-c1csc(N2C(=O)C(CC(=O)O)SC2c2ccc(Cl)cc2)n1
InChIInChI=1S/C24H23ClN2O4S2/c1-12(2)16-9-17(13(3)8-19(16)28)18-11-32-24(26-18)27-22(31)20(10-21(29)30)33-23(27)14-4-6-15(25)7-5-14/h4-9,11-12,20,23,28H,10H2,1-3H3,(H,29,30)
InChIKeySMHQJLLIMUAPHM-UHFFFAOYSA-N
MW503.05 g/mol
LogP6.22
Rot. Bonds6

About 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

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 (PubChem CID 10481188) has the molecular formula C24H23ClN2O4S2 and a molecular weight of 503.05 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID10481188
Molecular FormulaC24H23ClN2O4S2
Molecular Weight503.05 g/mol
Exact Mass502.08
IUPAC Name2-[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
SMILESCc1cc(O)c(C(C)C)cc1-c1csc(N2C(=O)C(CC(=O)O)SC2c2ccc(Cl)cc2)n1
InChIInChI=1S/C24H23ClN2O4S2/c1-12(2)16-9-17(13(3)8-19(16)28)18-11-32-24(26-18)27-22(31)20(10-21(29)30)33-23(27)14-4-6-15(25)7-5-14/h4-9,11-12,20,23,28H,10H2,1-3H3,(H,29,30)
InChIKeySMHQJLLIMUAPHM-UHFFFAOYSA-N
XLogP6.22
TPSA90.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.05
LogP ≤ 56.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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-[4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one
CID 10457823
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
2-[3-[4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]-4-oxo-2-phenyl-1,3-thiazolidin-5-yl]acetic acid
CID 10255741
2-[2-(furan-2-yl)-3-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 10429542
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
(2S,5R)-2-(2,4-dichlorophenyl)-3-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-5-methyl-1,3-thiazolidin-4-one
CID 40877130
2-[2-(3,4-dichlorophenyl)-3-[[2-(5-methyl-4-nitroso-2-propan-2-ylphenoxy)acetyl]amino]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 10578368
2-[(2R)-4-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3,8-dioxo-1-propan-2-yl-1,4-diazocan-2-yl]acetic acid
CID 56646057
2-[(2S,5R,6S)-1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(hydroxymethyl)-7-oxo-5-phenyl-5,6-dihydro-2H-azepin-6-yl]acetic acid
CID 66587432
2-[1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-cyclopentyl-8-(hydroxymethyl)-2-oxoazocan-3-yl]acetic acid
CID 66586400
2-(4-oxo-2-phenyl-3-propyl-1,3-thiazolidin-5-yl)acetic acid
CID 82019199

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(O)c(C(C)C)cc1-c1csc(N2C(=O)C(CC(=O)O)SC2c2ccc(Cl)cc2)n1.
What is the InChIKey of 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?
The InChIKey is SMHQJLLIMUAPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O4S2/c1-12(2)16-9-17(13(3)8-19(16)28)18-11-32-24(26-18)27-22(31)20(10-21(29)30)33-23(27)14-4-6-15(25)7-5-14/h4-9,11-12,20,23,28H,10H2,1-3H3,(H,29,30).
What are the key properties of 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?
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 has a molecular weight of 503.05 g/mol, XLogP of 6.22, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 10481188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).