2-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenoxy]acetic acid

C19H18N2O3S — CID 25012737

IUPAC2-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenoxy]acetic acid
SMILESCCCc1cc(-c2nc(-c3ccc(OCC(=O)O)cc3)cs2)ccn1
InChIInChI=1S/C19H18N2O3S/c1-2-3-15-10-14(8-9-20-15)19-21-17(12-25-19)13-4-6-16(7-5-13)24-11-18(22)23/h4-10,12H,2-3,11H2,1H3,(H,22,23)
InChIKeyQIYZIHGFQHSANG-UHFFFAOYSA-N
MW354.43 g/mol
LogP4.29
Rot. Bonds7

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

2-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenoxy]acetic acid (PubChem CID 25012737) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is 2-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenoxy]acetic acid
PubChem CID25012737
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC Name2-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenoxy]acetic acid
SMILESCCCc1cc(-c2nc(-c3ccc(OCC(=O)O)cc3)cs2)ccn1
InChIInChI=1S/C19H18N2O3S/c1-2-3-15-10-14(8-9-20-15)19-21-17(12-25-19)13-4-6-16(7-5-13)24-11-18(22)23/h4-10,12H,2-3,11H2,1H3,(H,22,23)
InChIKeyQIYZIHGFQHSANG-UHFFFAOYSA-N
XLogP4.29
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenoxy]acetic acid (CID 25012737) is 2-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenoxy]acetic acid is CCCc1cc(-c2nc(-c3ccc(OCC(=O)O)cc3)cs2)ccn1.
What is the InChIKey of 2-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenoxy]acetic acid?
The InChIKey is QIYZIHGFQHSANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-2-3-15-10-14(8-9-20-15)19-21-17(12-25-19)13-4-6-16(7-5-13)24-11-18(22)23/h4-10,12H,2-3,11H2,1H3,(H,22,23).
What are the key properties of 2-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenoxy]acetic acid?
2-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenoxy]acetic acid has a molecular weight of 354.43 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenoxy]acetic acid is sourced from PubChem (CID 25012737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).