2-(N,3-dimethylanilino)-1,3-thiazole-5-carboxylic acid

C12H12N2O2S — CID 55112410

IUPAC2-(N,3-dimethylanilino)-1,3-thiazole-5-carboxylic acid
SMILESCc1cccc(N(C)c2ncc(C(=O)O)s2)c1
InChIInChI=1S/C12H12N2O2S/c1-8-4-3-5-9(6-8)14(2)12-13-7-10(17-12)11(15)16/h3-7H,1-2H3,(H,15,16)
InChIKeyYSSBCVOOYXXDDF-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.92
Rot. Bonds3

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

2-(N,3-dimethylanilino)-1,3-thiazole-5-carboxylic acid (PubChem CID 55112410) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is 2-(N,3-dimethylanilino)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(N,3-dimethylanilino)-1,3-thiazole-5-carboxylic acid
PubChem CID55112410
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name2-(N,3-dimethylanilino)-1,3-thiazole-5-carboxylic acid
SMILESCc1cccc(N(C)c2ncc(C(=O)O)s2)c1
InChIInChI=1S/C12H12N2O2S/c1-8-4-3-5-9(6-8)14(2)12-13-7-10(17-12)11(15)16/h3-7H,1-2H3,(H,15,16)
InChIKeyYSSBCVOOYXXDDF-UHFFFAOYSA-N
XLogP2.92
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(N,3-dimethylanilino)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(N,3-dimethylanilino)-1,3-thiazole-5-carboxylic acid (CID 55112410) is 2-(N,3-dimethylanilino)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(N,3-dimethylanilino)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(N,3-dimethylanilino)-1,3-thiazole-5-carboxylic acid is Cc1cccc(N(C)c2ncc(C(=O)O)s2)c1.
What is the InChIKey of 2-(N,3-dimethylanilino)-1,3-thiazole-5-carboxylic acid?
The InChIKey is YSSBCVOOYXXDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-8-4-3-5-9(6-8)14(2)12-13-7-10(17-12)11(15)16/h3-7H,1-2H3,(H,15,16).
What are the key properties of 2-(N,3-dimethylanilino)-1,3-thiazole-5-carboxylic acid?
2-(N,3-dimethylanilino)-1,3-thiazole-5-carboxylic acid has a molecular weight of 248.31 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N,3-dimethylanilino)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 55112410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).