2-(3,5-dichloroanilino)-1,3-thiazole-5-carboxylic acid

C10H6Cl2N2O2S — CID 80571776

IUPAC2-(3,5-dichloroanilino)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(Nc2cc(Cl)cc(Cl)c2)s1
InChIInChI=1S/C10H6Cl2N2O2S/c11-5-1-6(12)3-7(2-5)14-10-13-4-8(17-10)9(15)16/h1-4H,(H,13,14)(H,15,16)
InChIKeyZNCCEVGZBISCAY-UHFFFAOYSA-N
MW289.14 g/mol
LogP3.89
Rot. Bonds3

About 2-(3,5-dichloroanilino)-1,3-thiazole-5-carboxylic acid

2-(3,5-dichloroanilino)-1,3-thiazole-5-carboxylic acid (PubChem CID 80571776) has the molecular formula C10H6Cl2N2O2S and a molecular weight of 289.14 g/mol. Its IUPAC name is 2-(3,5-dichloroanilino)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(3,5-dichloroanilino)-1,3-thiazole-5-carboxylic acid
PubChem CID80571776
Molecular FormulaC10H6Cl2N2O2S
Molecular Weight289.14 g/mol
Exact Mass287.95
IUPAC Name2-(3,5-dichloroanilino)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(Nc2cc(Cl)cc(Cl)c2)s1
InChIInChI=1S/C10H6Cl2N2O2S/c11-5-1-6(12)3-7(2-5)14-10-13-4-8(17-10)9(15)16/h1-4H,(H,13,14)(H,15,16)
InChIKeyZNCCEVGZBISCAY-UHFFFAOYSA-N
XLogP3.89
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.14
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloroanilino)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(3,5-dichloroanilino)-1,3-thiazole-5-carboxylic acid (CID 80571776) is 2-(3,5-dichloroanilino)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(3,5-dichloroanilino)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(3,5-dichloroanilino)-1,3-thiazole-5-carboxylic acid is O=C(O)c1cnc(Nc2cc(Cl)cc(Cl)c2)s1.
What is the InChIKey of 2-(3,5-dichloroanilino)-1,3-thiazole-5-carboxylic acid?
The InChIKey is ZNCCEVGZBISCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2N2O2S/c11-5-1-6(12)3-7(2-5)14-10-13-4-8(17-10)9(15)16/h1-4H,(H,13,14)(H,15,16).
What are the key properties of 2-(3,5-dichloroanilino)-1,3-thiazole-5-carboxylic acid?
2-(3,5-dichloroanilino)-1,3-thiazole-5-carboxylic acid has a molecular weight of 289.14 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloroanilino)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 80571776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).