2-[4-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]methoxy]phenoxy]propanoic acid

C19H16ClNO4S — CID 25017590

IUPAC2-[4-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]methoxy]phenoxy]propanoic acid
SMILESCC(Oc1ccc(OCc2nc(-c3ccccc3Cl)cs2)cc1)C(=O)O
InChIInChI=1S/C19H16ClNO4S/c1-12(19(22)23)25-14-8-6-13(7-9-14)24-10-18-21-17(11-26-18)15-4-2-3-5-16(15)20/h2-9,11-12H,10H2,1H3,(H,22,23)
InChIKeyPYUUTTMSGOAZOQ-UHFFFAOYSA-N
MW389.86 g/mol
LogP4.89
Rot. Bonds7

About 2-[4-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]methoxy]phenoxy]propanoic acid

2-[4-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]methoxy]phenoxy]propanoic acid (PubChem CID 25017590) has the molecular formula C19H16ClNO4S and a molecular weight of 389.86 g/mol. Its IUPAC name is 2-[4-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]methoxy]phenoxy]propanoic acid.

Molecular Properties

Compound Name2-[4-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]methoxy]phenoxy]propanoic acid
PubChem CID25017590
Molecular FormulaC19H16ClNO4S
Molecular Weight389.86 g/mol
Exact Mass389.05
IUPAC Name2-[4-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]methoxy]phenoxy]propanoic acid
SMILESCC(Oc1ccc(OCc2nc(-c3ccccc3Cl)cs2)cc1)C(=O)O
InChIInChI=1S/C19H16ClNO4S/c1-12(19(22)23)25-14-8-6-13(7-9-14)24-10-18-21-17(11-26-18)15-4-2-3-5-16(15)20/h2-9,11-12H,10H2,1H3,(H,22,23)
InChIKeyPYUUTTMSGOAZOQ-UHFFFAOYSA-N
XLogP4.89
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.86
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(E)-3-[3-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]methoxy]phenyl]prop-2-enoic acid
CID 25018090
(2R)-2-(4-phenylmethoxyphenoxy)propanoic acid
CID 1490297
(2S)-2-(4-phenylmethoxyphenoxy)propanoic acid
CID 1490295
[4-(2-chlorophenyl)-1,3-thiazol-2-yl]methanol
CID 46785514
2-[4-(2-chlorophenyl)-2-fluoroquinolin-7-yl]oxypropanoic acid
CID 155127568
4-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]methyl]benzoic acid
CID 58127866
1-[2-(phenoxymethyl)-1,3-thiazol-4-yl]ethanone
CID 2744803
4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methoxy]benzoic acid
CID 20983584
(2R)-2-[4-(carboxymethoxy)phenoxy]propanoic acid
CID 139082726
N-[(2S)-butan-2-yl]-2-(phenoxymethyl)-1,3-thiazole-4-carboxamide
CID 93158707
1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]ethanone
CID 46785541
2-[4-[(3-chloro-2-pyridinyl)oxy]phenoxy]propanoic acid
CID 11323843

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]methoxy]phenoxy]propanoic acid?
The IUPAC name of 2-[4-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]methoxy]phenoxy]propanoic acid (CID 25017590) is 2-[4-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]methoxy]phenoxy]propanoic acid.
What is the SMILES notation for 2-[4-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]methoxy]phenoxy]propanoic acid?
The canonical SMILES for 2-[4-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]methoxy]phenoxy]propanoic acid is CC(Oc1ccc(OCc2nc(-c3ccccc3Cl)cs2)cc1)C(=O)O.
What is the InChIKey of 2-[4-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]methoxy]phenoxy]propanoic acid?
The InChIKey is PYUUTTMSGOAZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO4S/c1-12(19(22)23)25-14-8-6-13(7-9-14)24-10-18-21-17(11-26-18)15-4-2-3-5-16(15)20/h2-9,11-12H,10H2,1H3,(H,22,23).
What are the key properties of 2-[4-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]methoxy]phenoxy]propanoic acid?
2-[4-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]methoxy]phenoxy]propanoic acid has a molecular weight of 389.86 g/mol, XLogP of 4.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]methoxy]phenoxy]propanoic acid is sourced from PubChem (CID 25017590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).