2-(4-chloroanilino)-2-(5-chloro-1,3-thiazol-2-yl)acetic acid

C11H8Cl2N2O2S — CID 107124347

IUPAC2-(4-chloroanilino)-2-(5-chloro-1,3-thiazol-2-yl)acetic acid
SMILESO=C(O)C(Nc1ccc(Cl)cc1)c1ncc(Cl)s1
InChIInChI=1S/C11H8Cl2N2O2S/c12-6-1-3-7(4-2-6)15-9(11(16)17)10-14-5-8(13)18-10/h1-5,9,15H,(H,16,17)
InChIKeyFFXJAKCSUXTNRT-UHFFFAOYSA-N
MW303.17 g/mol
LogP3.69
Rot. Bonds4

About 2-(4-chloroanilino)-2-(5-chloro-1,3-thiazol-2-yl)acetic acid

2-(4-chloroanilino)-2-(5-chloro-1,3-thiazol-2-yl)acetic acid (PubChem CID 107124347) has the molecular formula C11H8Cl2N2O2S and a molecular weight of 303.17 g/mol. Its IUPAC name is 2-(4-chloroanilino)-2-(5-chloro-1,3-thiazol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(4-chloroanilino)-2-(5-chloro-1,3-thiazol-2-yl)acetic acid
PubChem CID107124347
Molecular FormulaC11H8Cl2N2O2S
Molecular Weight303.17 g/mol
Exact Mass301.97
IUPAC Name2-(4-chloroanilino)-2-(5-chloro-1,3-thiazol-2-yl)acetic acid
SMILESO=C(O)C(Nc1ccc(Cl)cc1)c1ncc(Cl)s1
InChIInChI=1S/C11H8Cl2N2O2S/c12-6-1-3-7(4-2-6)15-9(11(16)17)10-14-5-8(13)18-10/h1-5,9,15H,(H,16,17)
InChIKeyFFXJAKCSUXTNRT-UHFFFAOYSA-N
XLogP3.69
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.17
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-Fluoroanilino)-2-(1,3-thiazol-2-yl)propanoic acid
CID 64990747
2-(2-Fluoroanilino)-2-(1,3-thiazol-2-yl)propanoic acid
CID 64990860
2-(4-Fluoroanilino)-2-(1,3-thiazol-2-yl)propanoic acid
CID 64991090
N'-(4-chloro-2-fluorophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]oxamide
CID 72007790
2-(4-Fluoroanilino)-2-(1,3-thiazol-2-yl)acetic acid
CID 104077320
Methyl 2-(4-fluoroanilino)-2-(1,3-thiazol-2-yl)acetate
CID 104077322
2-(3-Fluoroanilino)-2-(1,3-thiazol-2-yl)acetic acid
CID 104077366
Methyl 2-(3-fluoroanilino)-2-(1,3-thiazol-2-yl)acetate
CID 104077368
2-(2-Fluoroanilino)-2-(1,3-thiazol-2-yl)acetic acid
CID 104077375
2-(5-Chloro-1,3-thiazol-2-yl)-2-(3-fluoroanilino)acetamide
CID 107124245
2-(5-Chloro-1,3-thiazol-2-yl)-2-(2-fluoroanilino)acetamide
CID 107124246
2-(5-Chloro-1,3-thiazol-2-yl)-2-(4-fluoroanilino)acetic acid
CID 107124322

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroanilino)-2-(5-chloro-1,3-thiazol-2-yl)acetic acid?
The IUPAC name of 2-(4-chloroanilino)-2-(5-chloro-1,3-thiazol-2-yl)acetic acid (CID 107124347) is 2-(4-chloroanilino)-2-(5-chloro-1,3-thiazol-2-yl)acetic acid.
What is the SMILES notation for 2-(4-chloroanilino)-2-(5-chloro-1,3-thiazol-2-yl)acetic acid?
The canonical SMILES for 2-(4-chloroanilino)-2-(5-chloro-1,3-thiazol-2-yl)acetic acid is O=C(O)C(Nc1ccc(Cl)cc1)c1ncc(Cl)s1.
What is the InChIKey of 2-(4-chloroanilino)-2-(5-chloro-1,3-thiazol-2-yl)acetic acid?
The InChIKey is FFXJAKCSUXTNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O2S/c12-6-1-3-7(4-2-6)15-9(11(16)17)10-14-5-8(13)18-10/h1-5,9,15H,(H,16,17).
What are the key properties of 2-(4-chloroanilino)-2-(5-chloro-1,3-thiazol-2-yl)acetic acid?
2-(4-chloroanilino)-2-(5-chloro-1,3-thiazol-2-yl)acetic acid has a molecular weight of 303.17 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroanilino)-2-(5-chloro-1,3-thiazol-2-yl)acetic acid is sourced from PubChem (CID 107124347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).