2-[2-methyl-4-[[4-(4-propan-2-yloxyphenyl)-5-(4-propylphenyl)-1,3-thiazol-2-yl]methoxy]phenoxy]acetic acid

C31H33NO5S — CID 44626885

IUPAC2-[2-methyl-4-[[4-(4-propan-2-yloxyphenyl)-5-(4-propylphenyl)-1,3-thiazol-2-yl]methoxy]phenoxy]acetic acid
SMILESCCCc1ccc(-c2sc(COc3ccc(OCC(=O)O)c(C)c3)nc2-c2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C31H33NO5S/c1-5-6-22-7-9-24(10-8-22)31-30(23-11-13-25(14-12-23)37-20(2)3)32-28(38-31)18-35-26-15-16-27(21(4)17-26)36-19-29(33)34/h7-17,20H,5-6,18-19H2,1-4H3,(H,33,34)
InChIKeyNWBICGJVFHWHKW-UHFFFAOYSA-N
MW531.67 g/mol
LogP7.57
Rot. Bonds12

About 2-[2-methyl-4-[[4-(4-propan-2-yloxyphenyl)-5-(4-propylphenyl)-1,3-thiazol-2-yl]methoxy]phenoxy]acetic acid

2-[2-methyl-4-[[4-(4-propan-2-yloxyphenyl)-5-(4-propylphenyl)-1,3-thiazol-2-yl]methoxy]phenoxy]acetic acid (PubChem CID 44626885) has the molecular formula C31H33NO5S and a molecular weight of 531.67 g/mol. Its IUPAC name is 2-[2-methyl-4-[[4-(4-propan-2-yloxyphenyl)-5-(4-propylphenyl)-1,3-thiazol-2-yl]methoxy]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-methyl-4-[[4-(4-propan-2-yloxyphenyl)-5-(4-propylphenyl)-1,3-thiazol-2-yl]methoxy]phenoxy]acetic acid
PubChem CID44626885
Molecular FormulaC31H33NO5S
Molecular Weight531.67 g/mol
Exact Mass531.21
IUPAC Name2-[2-methyl-4-[[4-(4-propan-2-yloxyphenyl)-5-(4-propylphenyl)-1,3-thiazol-2-yl]methoxy]phenoxy]acetic acid
SMILESCCCc1ccc(-c2sc(COc3ccc(OCC(=O)O)c(C)c3)nc2-c2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C31H33NO5S/c1-5-6-22-7-9-24(10-8-22)31-30(23-11-13-25(14-12-23)37-20(2)3)32-28(38-31)18-35-26-15-16-27(21(4)17-26)36-19-29(33)34/h7-17,20H,5-6,18-19H2,1-4H3,(H,33,34)
InChIKeyNWBICGJVFHWHKW-UHFFFAOYSA-N
XLogP7.57
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.67
LogP ≤ 57.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-methyl-4-[[4-(4-propan-2-yloxyphenyl)-5-(4-propylphenyl)-1,3-thiazol-2-yl]methoxy]phenoxy]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-4-[[4-(4-propan-2-yloxyphenyl)-5-(4-propylphenyl)-1,3-thiazol-2-yl]methoxy]phenoxy]acetic acid?
The IUPAC name of 2-[2-methyl-4-[[4-(4-propan-2-yloxyphenyl)-5-(4-propylphenyl)-1,3-thiazol-2-yl]methoxy]phenoxy]acetic acid (CID 44626885) is 2-[2-methyl-4-[[4-(4-propan-2-yloxyphenyl)-5-(4-propylphenyl)-1,3-thiazol-2-yl]methoxy]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-methyl-4-[[4-(4-propan-2-yloxyphenyl)-5-(4-propylphenyl)-1,3-thiazol-2-yl]methoxy]phenoxy]acetic acid?
The canonical SMILES for 2-[2-methyl-4-[[4-(4-propan-2-yloxyphenyl)-5-(4-propylphenyl)-1,3-thiazol-2-yl]methoxy]phenoxy]acetic acid is CCCc1ccc(-c2sc(COc3ccc(OCC(=O)O)c(C)c3)nc2-c2ccc(OC(C)C)cc2)cc1.
What is the InChIKey of 2-[2-methyl-4-[[4-(4-propan-2-yloxyphenyl)-5-(4-propylphenyl)-1,3-thiazol-2-yl]methoxy]phenoxy]acetic acid?
The InChIKey is NWBICGJVFHWHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33NO5S/c1-5-6-22-7-9-24(10-8-22)31-30(23-11-13-25(14-12-23)37-20(2)3)32-28(38-31)18-35-26-15-16-27(21(4)17-26)36-19-29(33)34/h7-17,20H,5-6,18-19H2,1-4H3,(H,33,34).
What are the key properties of 2-[2-methyl-4-[[4-(4-propan-2-yloxyphenyl)-5-(4-propylphenyl)-1,3-thiazol-2-yl]methoxy]phenoxy]acetic acid?
2-[2-methyl-4-[[4-(4-propan-2-yloxyphenyl)-5-(4-propylphenyl)-1,3-thiazol-2-yl]methoxy]phenoxy]acetic acid has a molecular weight of 531.67 g/mol, XLogP of 7.57, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-4-[[4-(4-propan-2-yloxyphenyl)-5-(4-propylphenyl)-1,3-thiazol-2-yl]methoxy]phenoxy]acetic acid is sourced from PubChem (CID 44626885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).