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

C10H9N3O2S — CID 87396018

IUPAC2-(2-aminoanilino)-1,3-thiazole-5-carboxylic acid
SMILESNc1ccccc1Nc1ncc(C(=O)O)s1
InChIInChI=1S/C10H9N3O2S/c11-6-3-1-2-4-7(6)13-10-12-5-8(16-10)9(14)15/h1-5H,11H2,(H,12,13)(H,14,15)
InChIKeyGWEDYNPDKGCNPX-UHFFFAOYSA-N
MW235.27 g/mol
LogP2.17
Rot. Bonds3

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

2-(2-aminoanilino)-1,3-thiazole-5-carboxylic acid (PubChem CID 87396018) has the molecular formula C10H9N3O2S and a molecular weight of 235.27 g/mol. Its IUPAC name is 2-(2-aminoanilino)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-aminoanilino)-1,3-thiazole-5-carboxylic acid
PubChem CID87396018
Molecular FormulaC10H9N3O2S
Molecular Weight235.27 g/mol
Exact Mass235.04
IUPAC Name2-(2-aminoanilino)-1,3-thiazole-5-carboxylic acid
SMILESNc1ccccc1Nc1ncc(C(=O)O)s1
InChIInChI=1S/C10H9N3O2S/c11-6-3-1-2-4-7(6)13-10-12-5-8(16-10)9(14)15/h1-5H,11H2,(H,12,13)(H,14,15)
InChIKeyGWEDYNPDKGCNPX-UHFFFAOYSA-N
XLogP2.17
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[2-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxylic acid
CID 80570658
2-(3-chloro-2-fluoroanilino)-1,3-thiazole-5-carboxylic acid
CID 80571660
2-(2,6-dichloroanilino)-1,3-thiazole-5-carboxylic acid
CID 80571332
2-(pyridin-3-ylamino)-1,3-thiazole-5-carboxylic acid
CID 80570815
[2-(2-methylanilino)-1,3-thiazol-5-yl]-phenylmethanone
CID 87869649
methyl 2-(2-methylsulfanylanilino)-1,3-thiazole-5-carboxylate
CID 107647034
2-(2-chloro-5-fluoroanilino)-1,3-thiazole-5-carboxylic acid
CID 107531721
methyl 2-[2-(methoxymethyl)anilino]-1,3-thiazole-5-carboxylate
CID 80570947
2-[(6-methoxy-3-pyridinyl)amino]-1,3-thiazole-5-carboxylic acid
CID 80571966
methyl 2-[(2-methyl-3-pyridinyl)amino]-1,3-thiazole-5-carboxylate
CID 80572957
2-(2,5-dichloro-4-methylanilino)-1,3-thiazole-5-carboxylic acid
CID 104728582
2-(3,4-dichloroanilino)-1,3-thiazole-5-carboxylic acid
CID 80572321

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoanilino)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(2-aminoanilino)-1,3-thiazole-5-carboxylic acid (CID 87396018) is 2-(2-aminoanilino)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(2-aminoanilino)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(2-aminoanilino)-1,3-thiazole-5-carboxylic acid is Nc1ccccc1Nc1ncc(C(=O)O)s1.
What is the InChIKey of 2-(2-aminoanilino)-1,3-thiazole-5-carboxylic acid?
The InChIKey is GWEDYNPDKGCNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2S/c11-6-3-1-2-4-7(6)13-10-12-5-8(16-10)9(14)15/h1-5H,11H2,(H,12,13)(H,14,15).
What are the key properties of 2-(2-aminoanilino)-1,3-thiazole-5-carboxylic acid?
2-(2-aminoanilino)-1,3-thiazole-5-carboxylic acid has a molecular weight of 235.27 g/mol, XLogP of 2.17, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoanilino)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 87396018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).