2-anilino-1,3-thiazole-5-carboxylic acid

C10H8N2O2S — CID 11535888

IUPAC2-anilino-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(Nc2ccccc2)s1
InChIInChI=1S/C10H8N2O2S/c13-9(14)8-6-11-10(15-8)12-7-4-2-1-3-5-7/h1-6H,(H,11,12)(H,13,14)
InChIKeyJVDCBFYWWGXIRC-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.58
Rot. Bonds3

About 2-anilino-1,3-thiazole-5-carboxylic acid

2-anilino-1,3-thiazole-5-carboxylic acid (PubChem CID 11535888) has the molecular formula C10H8N2O2S and a molecular weight of 220.25 g/mol. Its IUPAC name is 2-anilino-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-anilino-1,3-thiazole-5-carboxylic acid
PubChem CID11535888
Molecular FormulaC10H8N2O2S
Molecular Weight220.25 g/mol
Exact Mass220.03
IUPAC Name2-anilino-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(Nc2ccccc2)s1
InChIInChI=1S/C10H8N2O2S/c13-9(14)8-6-11-10(15-8)12-7-4-2-1-3-5-7/h1-6H,(H,11,12)(H,13,14)
InChIKeyJVDCBFYWWGXIRC-UHFFFAOYSA-N
XLogP2.58
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-anilino-1,3-thiazole-5-carboxylic acid (CID 11535888) is 2-anilino-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-anilino-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-anilino-1,3-thiazole-5-carboxylic acid is O=C(O)c1cnc(Nc2ccccc2)s1.
What is the InChIKey of 2-anilino-1,3-thiazole-5-carboxylic acid?
The InChIKey is JVDCBFYWWGXIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2S/c13-9(14)8-6-11-10(15-8)12-7-4-2-1-3-5-7/h1-6H,(H,11,12)(H,13,14).
What are the key properties of 2-anilino-1,3-thiazole-5-carboxylic acid?
2-anilino-1,3-thiazole-5-carboxylic acid has a molecular weight of 220.25 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 11535888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).