2-[2-[2-cyclopentyloxy-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]-5-(methoxymethyl)-1,3-thiazol-4-yl]acetic acid

C24H33NO7S — CID 170667570

IUPAC2-[2-[2-cyclopentyloxy-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]-5-(methoxymethyl)-1,3-thiazol-4-yl]acetic acid
SMILESCOCc1sc(CC(OC2CCCC2)C(O)c2cc(OC)c(C)c(OC)c2)nc1CC(=O)O
InChIInChI=1S/C24H33NO7S/c1-14-18(30-3)9-15(10-19(14)31-4)24(28)20(32-16-7-5-6-8-16)12-22-25-17(11-23(26)27)21(33-22)13-29-2/h9-10,16,20,24,28H,5-8,11-13H2,1-4H3,(H,26,27)
InChIKeyMYCLAENTHOEILA-UHFFFAOYSA-N
MW479.60 g/mol
LogP3.85
Rot. Bonds12

About 2-[2-[2-cyclopentyloxy-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]-5-(methoxymethyl)-1,3-thiazol-4-yl]acetic acid

2-[2-[2-cyclopentyloxy-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]-5-(methoxymethyl)-1,3-thiazol-4-yl]acetic acid (PubChem CID 170667570) has the molecular formula C24H33NO7S and a molecular weight of 479.60 g/mol. Its IUPAC name is 2-[2-[2-cyclopentyloxy-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]-5-(methoxymethyl)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[2-cyclopentyloxy-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]-5-(methoxymethyl)-1,3-thiazol-4-yl]acetic acid
PubChem CID170667570
Molecular FormulaC24H33NO7S
Molecular Weight479.60 g/mol
Exact Mass479.20
IUPAC Name2-[2-[2-cyclopentyloxy-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]-5-(methoxymethyl)-1,3-thiazol-4-yl]acetic acid
SMILESCOCc1sc(CC(OC2CCCC2)C(O)c2cc(OC)c(C)c(OC)c2)nc1CC(=O)O
InChIInChI=1S/C24H33NO7S/c1-14-18(30-3)9-15(10-19(14)31-4)24(28)20(32-16-7-5-6-8-16)12-22-25-17(11-23(26)27)21(33-22)13-29-2/h9-10,16,20,24,28H,5-8,11-13H2,1-4H3,(H,26,27)
InChIKeyMYCLAENTHOEILA-UHFFFAOYSA-N
XLogP3.85
TPSA107.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.60
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-cyclopentyloxy-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]-5-(methoxymethyl)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[2-cyclopentyloxy-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]-5-(methoxymethyl)-1,3-thiazol-4-yl]acetic acid (CID 170667570) is 2-[2-[2-cyclopentyloxy-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]-5-(methoxymethyl)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[2-cyclopentyloxy-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]-5-(methoxymethyl)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[2-cyclopentyloxy-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]-5-(methoxymethyl)-1,3-thiazol-4-yl]acetic acid is COCc1sc(CC(OC2CCCC2)C(O)c2cc(OC)c(C)c(OC)c2)nc1CC(=O)O.
What is the InChIKey of 2-[2-[2-cyclopentyloxy-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]-5-(methoxymethyl)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is MYCLAENTHOEILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO7S/c1-14-18(30-3)9-15(10-19(14)31-4)24(28)20(32-16-7-5-6-8-16)12-22-25-17(11-23(26)27)21(33-22)13-29-2/h9-10,16,20,24,28H,5-8,11-13H2,1-4H3,(H,26,27).
What are the key properties of 2-[2-[2-cyclopentyloxy-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]-5-(methoxymethyl)-1,3-thiazol-4-yl]acetic acid?
2-[2-[2-cyclopentyloxy-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]-5-(methoxymethyl)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 479.60 g/mol, XLogP of 3.85, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-cyclopentyloxy-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]-5-(methoxymethyl)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 170667570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).