(2S)-2-[4-chloro-2-(1,3-thiazol-2-yl)phenoxy]propanoic acid

C12H10ClNO3S — CID 138684005

IUPAC(2S)-2-[4-chloro-2-(1,3-thiazol-2-yl)phenoxy]propanoic acid
SMILESC[C@H](Oc1ccc(Cl)cc1-c1nccs1)C(=O)O
InChIInChI=1S/C12H10ClNO3S/c1-7(12(15)16)17-10-3-2-8(13)6-9(10)11-14-4-5-18-11/h2-7H,1H3,(H,15,16)/t7-/m0/s1
InChIKeyQLTQZFFREUHFGA-ZETCQYMHSA-N
MW283.74 g/mol
LogP3.32
Rot. Bonds4

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

(2S)-2-[4-chloro-2-(1,3-thiazol-2-yl)phenoxy]propanoic acid (PubChem CID 138684005) has the molecular formula C12H10ClNO3S and a molecular weight of 283.74 g/mol. Its IUPAC name is (2S)-2-[4-chloro-2-(1,3-thiazol-2-yl)phenoxy]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[4-chloro-2-(1,3-thiazol-2-yl)phenoxy]propanoic acid
PubChem CID138684005
Molecular FormulaC12H10ClNO3S
Molecular Weight283.74 g/mol
Exact Mass283.01
IUPAC Name(2S)-2-[4-chloro-2-(1,3-thiazol-2-yl)phenoxy]propanoic acid
SMILESC[C@H](Oc1ccc(Cl)cc1-c1nccs1)C(=O)O
InChIInChI=1S/C12H10ClNO3S/c1-7(12(15)16)17-10-3-2-8(13)6-9(10)11-14-4-5-18-11/h2-7H,1H3,(H,15,16)/t7-/m0/s1
InChIKeyQLTQZFFREUHFGA-ZETCQYMHSA-N
XLogP3.32
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.74
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-2-methylphenoxy)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
CID 112764343
2-(2,4-dichlorophenoxy)propanoic acid
CID 8427
azane;2-(2,4-dichlorophenoxy)propanoic acid
CID 173303839
azane;2-(4-chloro-2-methylphenoxy)propanoic acid
CID 13376687
(2S)-2-(2,5-dichlorophenoxy)propanoic acid
CID 41097405
2-(2,4-dichlorophenoxy)-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
CID 55817441
2-[4-chloro-2-(cyclopenten-1-yl)phenoxy]propanoic acid
CID 138686161
potassium;2-(4-chloro-2-methylphenoxy)propanoic acid;hydride
CID 173089242
(2S)-2-[4-chloro-2-[(E)-2-fluoroethenyl]phenoxy]propanoic acid
CID 138687037
2-(2-bromo-4-chlorophenoxy)-N-(1,3-thiazol-2-yl)propanamide
CID 4981351
(2R)-2-[5-chloro-2-(2,4-dichlorophenoxy)phenoxy]propanoic acid
CID 124566804
(2S)-2-(4-chloro-2-cyclopropylphenoxy)propanoic acid
CID 138686156

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-chloro-2-(1,3-thiazol-2-yl)phenoxy]propanoic acid?
The IUPAC name of (2S)-2-[4-chloro-2-(1,3-thiazol-2-yl)phenoxy]propanoic acid (CID 138684005) is (2S)-2-[4-chloro-2-(1,3-thiazol-2-yl)phenoxy]propanoic acid.
What is the SMILES notation for (2S)-2-[4-chloro-2-(1,3-thiazol-2-yl)phenoxy]propanoic acid?
The canonical SMILES for (2S)-2-[4-chloro-2-(1,3-thiazol-2-yl)phenoxy]propanoic acid is C[C@H](Oc1ccc(Cl)cc1-c1nccs1)C(=O)O.
What is the InChIKey of (2S)-2-[4-chloro-2-(1,3-thiazol-2-yl)phenoxy]propanoic acid?
The InChIKey is QLTQZFFREUHFGA-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H10ClNO3S/c1-7(12(15)16)17-10-3-2-8(13)6-9(10)11-14-4-5-18-11/h2-7H,1H3,(H,15,16)/t7-/m0/s1.
What are the key properties of (2S)-2-[4-chloro-2-(1,3-thiazol-2-yl)phenoxy]propanoic acid?
(2S)-2-[4-chloro-2-(1,3-thiazol-2-yl)phenoxy]propanoic acid has a molecular weight of 283.74 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-chloro-2-(1,3-thiazol-2-yl)phenoxy]propanoic acid is sourced from PubChem (CID 138684005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).