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

C24H26N2O3S2 — CID 10049638

IUPAC3-[4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]-2-(2-methoxyphenyl)-5-methyl-1,3-thiazolidin-4-one
SMILESCOc1ccccc1C1SC(C)C(=O)N1c1nc(-c2cc(C(C)C)c(O)cc2C)cs1
InChIInChI=1S/C24H26N2O3S2/c1-13(2)17-11-18(14(3)10-20(17)27)19-12-30-24(25-19)26-22(28)15(4)31-23(26)16-8-6-7-9-21(16)29-5/h6-13,15,23,27H,1-5H3
InChIKeyPTFRGNFKRSRFCJ-UHFFFAOYSA-N
MW454.62 g/mol
LogP6.12
Rot. Bonds5

About 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

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 (PubChem CID 10049638) has the molecular formula C24H26N2O3S2 and a molecular weight of 454.62 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]-2-(2-methoxyphenyl)-5-methyl-1,3-thiazolidin-4-one
PubChem CID10049638
Molecular FormulaC24H26N2O3S2
Molecular Weight454.62 g/mol
Exact Mass454.14
IUPAC Name3-[4-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]-2-(2-methoxyphenyl)-5-methyl-1,3-thiazolidin-4-one
SMILESCOc1ccccc1C1SC(C)C(=O)N1c1nc(-c2cc(C(C)C)c(O)cc2C)cs1
InChIInChI=1S/C24H26N2O3S2/c1-13(2)17-11-18(14(3)10-20(17)27)19-12-30-24(25-19)26-22(28)15(4)31-23(26)16-8-6-7-9-21(16)29-5/h6-13,15,23,27H,1-5H3
InChIKeyPTFRGNFKRSRFCJ-UHFFFAOYSA-N
XLogP6.12
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.62
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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
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-(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
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-methoxyphenyl)-5-methyl-3-[2-(propan-2-ylamino)ethyl]-1,3-thiazolidin-4-one
CID 24715469
(2S)-3-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(2-hydroxyphenyl)-1,2-dihydroquinazolin-4-one
CID 139057679
N-[2-[2-(2-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-2-methyl-N-propan-2-ylpropanamide
CID 42815296
[4-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]hydrazine
CID 39103679
4-chloro-N-[2-[2-[3-chloro-2-(2-methoxyphenyl)-4-oxoazetidin-1-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide
CID 10674405
17-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 2837111
(4S)-4-[(2-hydroxyphenyl)diazenyl]-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-4H-pyrazol-3-one
CID 136782951

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccccc1C1SC(C)C(=O)N1c1nc(-c2cc(C(C)C)c(O)cc2C)cs1.
What is the InChIKey of 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?
The InChIKey is PTFRGNFKRSRFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3S2/c1-13(2)17-11-18(14(3)10-20(17)27)19-12-30-24(25-19)26-22(28)15(4)31-23(26)16-8-6-7-9-21(16)29-5/h6-13,15,23,27H,1-5H3.
What are the key properties of 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?
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 has a molecular weight of 454.62 g/mol, XLogP of 6.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 10049638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).