2-[2-(2-hydroxypropoxy)-6-methoxyphenyl]-3-[(4-propan-2-yloxyphenyl)methyl]-1,3-thiazolidin-4-one

C23H29NO5S — CID 87150884

IUPAC2-[2-(2-hydroxypropoxy)-6-methoxyphenyl]-3-[(4-propan-2-yloxyphenyl)methyl]-1,3-thiazolidin-4-one
SMILESCOc1cccc(OCC(C)O)c1C1SCC(=O)N1Cc1ccc(OC(C)C)cc1
InChIInChI=1S/C23H29NO5S/c1-15(2)29-18-10-8-17(9-11-18)12-24-21(26)14-30-23(24)22-19(27-4)6-5-7-20(22)28-13-16(3)25/h5-11,15-16,23,25H,12-14H2,1-4H3
InChIKeyROOZFRMJBQQBFS-UHFFFAOYSA-N
MW431.55 g/mol
LogP4.02
Rot. Bonds9

About 2-[2-(2-hydroxypropoxy)-6-methoxyphenyl]-3-[(4-propan-2-yloxyphenyl)methyl]-1,3-thiazolidin-4-one

2-[2-(2-hydroxypropoxy)-6-methoxyphenyl]-3-[(4-propan-2-yloxyphenyl)methyl]-1,3-thiazolidin-4-one (PubChem CID 87150884) has the molecular formula C23H29NO5S and a molecular weight of 431.55 g/mol. Its IUPAC name is 2-[2-(2-hydroxypropoxy)-6-methoxyphenyl]-3-[(4-propan-2-yloxyphenyl)methyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[2-(2-hydroxypropoxy)-6-methoxyphenyl]-3-[(4-propan-2-yloxyphenyl)methyl]-1,3-thiazolidin-4-one
PubChem CID87150884
Molecular FormulaC23H29NO5S
Molecular Weight431.55 g/mol
Exact Mass431.18
IUPAC Name2-[2-(2-hydroxypropoxy)-6-methoxyphenyl]-3-[(4-propan-2-yloxyphenyl)methyl]-1,3-thiazolidin-4-one
SMILESCOc1cccc(OCC(C)O)c1C1SCC(=O)N1Cc1ccc(OC(C)C)cc1
InChIInChI=1S/C23H29NO5S/c1-15(2)29-18-10-8-17(9-11-18)12-24-21(26)14-30-23(24)22-19(27-4)6-5-7-20(22)28-13-16(3)25/h5-11,15-16,23,25H,12-14H2,1-4H3
InChIKeyROOZFRMJBQQBFS-UHFFFAOYSA-N
XLogP4.02
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.55
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxypropoxy)-6-methoxyphenyl]-3-[(4-propan-2-yloxyphenyl)methyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[2-(2-hydroxypropoxy)-6-methoxyphenyl]-3-[(4-propan-2-yloxyphenyl)methyl]-1,3-thiazolidin-4-one (CID 87150884) is 2-[2-(2-hydroxypropoxy)-6-methoxyphenyl]-3-[(4-propan-2-yloxyphenyl)methyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[2-(2-hydroxypropoxy)-6-methoxyphenyl]-3-[(4-propan-2-yloxyphenyl)methyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[2-(2-hydroxypropoxy)-6-methoxyphenyl]-3-[(4-propan-2-yloxyphenyl)methyl]-1,3-thiazolidin-4-one is COc1cccc(OCC(C)O)c1C1SCC(=O)N1Cc1ccc(OC(C)C)cc1.
What is the InChIKey of 2-[2-(2-hydroxypropoxy)-6-methoxyphenyl]-3-[(4-propan-2-yloxyphenyl)methyl]-1,3-thiazolidin-4-one?
The InChIKey is ROOZFRMJBQQBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO5S/c1-15(2)29-18-10-8-17(9-11-18)12-24-21(26)14-30-23(24)22-19(27-4)6-5-7-20(22)28-13-16(3)25/h5-11,15-16,23,25H,12-14H2,1-4H3.
What are the key properties of 2-[2-(2-hydroxypropoxy)-6-methoxyphenyl]-3-[(4-propan-2-yloxyphenyl)methyl]-1,3-thiazolidin-4-one?
2-[2-(2-hydroxypropoxy)-6-methoxyphenyl]-3-[(4-propan-2-yloxyphenyl)methyl]-1,3-thiazolidin-4-one has a molecular weight of 431.55 g/mol, XLogP of 4.02, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxypropoxy)-6-methoxyphenyl]-3-[(4-propan-2-yloxyphenyl)methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 87150884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).