methyl 2-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenoxy]acetate

C20H20N2O3S — CID 25012736

IUPACmethyl 2-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenoxy]acetate
SMILESCCCc1cc(-c2nc(-c3ccc(OCC(=O)OC)cc3)cs2)ccn1
InChIInChI=1S/C20H20N2O3S/c1-3-4-16-11-15(9-10-21-16)20-22-18(13-26-20)14-5-7-17(8-6-14)25-12-19(23)24-2/h5-11,13H,3-4,12H2,1-2H3
InChIKeyJWEFKOCEVNIDGK-UHFFFAOYSA-N
MW368.46 g/mol
LogP4.38
Rot. Bonds7

About methyl 2-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenoxy]acetate

methyl 2-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenoxy]acetate (PubChem CID 25012736) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is methyl 2-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenoxy]acetate
PubChem CID25012736
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC Namemethyl 2-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenoxy]acetate
SMILESCCCc1cc(-c2nc(-c3ccc(OCC(=O)OC)cc3)cs2)ccn1
InChIInChI=1S/C20H20N2O3S/c1-3-4-16-11-15(9-10-21-16)20-22-18(13-26-20)14-5-7-17(8-6-14)25-12-19(23)24-2/h5-11,13H,3-4,12H2,1-2H3
InChIKeyJWEFKOCEVNIDGK-UHFFFAOYSA-N
XLogP4.38
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenoxy]acetate?
The IUPAC name of methyl 2-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenoxy]acetate (CID 25012736) is methyl 2-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenoxy]acetate.
What is the SMILES notation for methyl 2-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenoxy]acetate?
The canonical SMILES for methyl 2-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenoxy]acetate is CCCc1cc(-c2nc(-c3ccc(OCC(=O)OC)cc3)cs2)ccn1.
What is the InChIKey of methyl 2-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenoxy]acetate?
The InChIKey is JWEFKOCEVNIDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-3-4-16-11-15(9-10-21-16)20-22-18(13-26-20)14-5-7-17(8-6-14)25-12-19(23)24-2/h5-11,13H,3-4,12H2,1-2H3.
What are the key properties of methyl 2-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenoxy]acetate?
methyl 2-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenoxy]acetate has a molecular weight of 368.46 g/mol, XLogP of 4.38, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenoxy]acetate is sourced from PubChem (CID 25012736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).