2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]acetic acid

C11H9ClN2O2S — CID 1078637

IUPAC2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(Nc2cccc(Cl)c2)n1
InChIInChI=1S/C11H9ClN2O2S/c12-7-2-1-3-8(4-7)13-11-14-9(6-17-11)5-10(15)16/h1-4,6H,5H2,(H,13,14)(H,15,16)
InChIKeyANUTXYRPIOYFHW-UHFFFAOYSA-N
MW268.73 g/mol
LogP3.17
Rot. Bonds4

About 2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]acetic acid

2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]acetic acid (PubChem CID 1078637) has the molecular formula C11H9ClN2O2S and a molecular weight of 268.73 g/mol. Its IUPAC name is 2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]acetic acid
PubChem CID1078637
Molecular FormulaC11H9ClN2O2S
Molecular Weight268.73 g/mol
Exact Mass268.01
IUPAC Name2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(Nc2cccc(Cl)c2)n1
InChIInChI=1S/C11H9ClN2O2S/c12-7-2-1-3-8(4-7)13-11-14-9(6-17-11)5-10(15)16/h1-4,6H,5H2,(H,13,14)(H,15,16)
InChIKeyANUTXYRPIOYFHW-UHFFFAOYSA-N
XLogP3.17
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.73
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-Chlorophenyl)-N'-(4-methyl-1,3-thiazol-2-YL)urea
CID 727855
Ethyl 2-{2-[(anilinocarbonyl)amino]-1,3-thiazol-4-yl}acetate
CID 728643
[2-(4-Butyl-phenylamino)-thiazol-4-yl]-acetic acid
CID 3611794
Ethyl (2-{[(4-chlorophenyl)carbamoyl]amino}-1,3-thiazol-4-yl)acetate
CID 2816687
Methyl 2-(2-anilino-5-methyl-1,3-thiazol-4-yl)acetate
CID 2741217
2-(4-Chloroanilino)-1,3-thiazole-4-carboxylic acid
CID 2757762
[2-(4-Fluoro-phenylamino)-thiazol-4-yl]-acetic acid
CID 1133217
Methyl {2-[(2-chlorophenyl)amino]-1,3-thiazol-4-yl}acetate
CID 970978
Methyl 2-[2-(phenylamino)-1,3-thiazol-4-yl]acetate
CID 1528685
Methyl 2-[2-(3-chloro-4-fluoroanilino)-1,3-thiazol-4-yl]acetate
CID 2128623
2-[2-(4-Butylanilino)-5-chloro-1,3-thiazol-4-yl]acetic acid
CID 137649968
2-[2-(4-Butylanilino)-1,3-thiazol-4-yl]propanoic acid
CID 137659302

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]acetic acid (CID 1078637) is 2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]acetic acid is O=C(O)Cc1csc(Nc2cccc(Cl)c2)n1.
What is the InChIKey of 2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is ANUTXYRPIOYFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2S/c12-7-2-1-3-8(4-7)13-11-14-9(6-17-11)5-10(15)16/h1-4,6H,5H2,(H,13,14)(H,15,16).
What are the key properties of 2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]acetic acid?
2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 268.73 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 1078637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).