2-[2-(furan-2-yl)-3-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid

C19H21NO5S — CID 10429542

IUPAC2-[2-(furan-2-yl)-3-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid
SMILESCc1cc(O)c(C(C)C)cc1N1C(=O)C(CC(=O)O)SC1c1ccco1
InChIInChI=1S/C19H21NO5S/c1-10(2)12-8-13(11(3)7-14(12)21)20-18(24)16(9-17(22)23)26-19(20)15-5-4-6-25-15/h4-8,10,16,19,21H,9H2,1-3H3,(H,22,23)
InChIKeyLGAZAXOBOJARCF-UHFFFAOYSA-N
MW375.45 g/mol
LogP4.04
Rot. Bonds5

About 2-[2-(furan-2-yl)-3-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid

2-[2-(furan-2-yl)-3-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid (PubChem CID 10429542) has the molecular formula C19H21NO5S and a molecular weight of 375.45 g/mol. Its IUPAC name is 2-[2-(furan-2-yl)-3-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(furan-2-yl)-3-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid
PubChem CID10429542
Molecular FormulaC19H21NO5S
Molecular Weight375.45 g/mol
Exact Mass375.11
IUPAC Name2-[2-(furan-2-yl)-3-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid
SMILESCc1cc(O)c(C(C)C)cc1N1C(=O)C(CC(=O)O)SC1c1ccco1
InChIInChI=1S/C19H21NO5S/c1-10(2)12-8-13(11(3)7-14(12)21)20-18(24)16(9-17(22)23)26-19(20)15-5-4-6-25-15/h4-8,10,16,19,21H,9H2,1-3H3,(H,22,23)
InChIKeyLGAZAXOBOJARCF-UHFFFAOYSA-N
XLogP4.04
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(furan-2-yl)-3-(4-methyl-2-pyridinyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 11141677
2-[3-(1,3-benzothiazol-2-yl)-2-(furan-2-yl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 11726036
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
2-(4-oxo-2-phenyl-3-propyl-1,3-thiazolidin-5-yl)acetic acid
CID 82019199
1-(4-chloro-2-methylphenyl)-2-(furan-2-yl)-4-hydroxy-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 108655257
1-(2,4-dimethylphenyl)-2-(furan-2-yl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
CID 108655428
2-(furan-2-yl)-4-hydroxy-1-(2-hydroxy-5-methylphenyl)-3-propanoyl-2H-pyrrol-5-one
CID 108655341
(4E)-5-(furan-2-yl)-4-[hydroxy-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylidene]-1-(2-methoxyethyl)pyrrolidine-2,3-dione
CID 108653047
(4Z)-1-(2,4-dimethylphenyl)-5-(furan-2-yl)-4-[hydroxy-(4-methoxy-3-propan-2-ylphenyl)methylidene]pyrrolidine-2,3-dione
CID 108655405
2-(furan-2-yl)-4-hydroxy-1-(2-hydroxyphenyl)-3-(2-methylpropanoyl)-2H-pyrrol-5-one
CID 108653949
2-[7-chloro-5-(2-chloro-3-hydroxyphenyl)-1-(2-methylpropyl)-2-oxo-5H-4,1-benzothiazepin-3-yl]acetic acid
CID 54421702
(4E)-5-(furan-2-yl)-4-[hydroxy-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylidene]-1-(4-propan-2-yloxyphenyl)pyrrolidine-2,3-dione
CID 108607832

Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-yl)-3-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid?
The IUPAC name of 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) is 2-[2-(furan-2-yl)-3-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(furan-2-yl)-3-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid?
The canonical SMILES for 2-[2-(furan-2-yl)-3-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid is Cc1cc(O)c(C(C)C)cc1N1C(=O)C(CC(=O)O)SC1c1ccco1.
What is the InChIKey of 2-[2-(furan-2-yl)-3-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid?
The InChIKey is LGAZAXOBOJARCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5S/c1-10(2)12-8-13(11(3)7-14(12)21)20-18(24)16(9-17(22)23)26-19(20)15-5-4-6-25-15/h4-8,10,16,19,21H,9H2,1-3H3,(H,22,23).
What are the key properties of 2-[2-(furan-2-yl)-3-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid?
2-[2-(furan-2-yl)-3-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid has a molecular weight of 375.45 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-yl)-3-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid is sourced from PubChem (CID 10429542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).