2-(dimethylamino)-5-methyl-1,3-thiazole-4-carboxylic acid

C7H10N2O2S — CID 115422715

IUPAC2-(dimethylamino)-5-methyl-1,3-thiazole-4-carboxylic acid
SMILESCc1sc(N(C)C)nc1C(=O)O
InChIInChI=1S/C7H10N2O2S/c1-4-5(6(10)11)8-7(12-4)9(2)3/h1-3H3,(H,10,11)
InChIKeyIIKSVXFMGGXGMC-UHFFFAOYSA-N
MW186.24 g/mol
LogP1.22
Rot. Bonds2

About 2-(dimethylamino)-5-methyl-1,3-thiazole-4-carboxylic acid

2-(dimethylamino)-5-methyl-1,3-thiazole-4-carboxylic acid (PubChem CID 115422715) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is 2-(dimethylamino)-5-methyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(dimethylamino)-5-methyl-1,3-thiazole-4-carboxylic acid
PubChem CID115422715
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Name2-(dimethylamino)-5-methyl-1,3-thiazole-4-carboxylic acid
SMILESCc1sc(N(C)C)nc1C(=O)O
InChIInChI=1S/C7H10N2O2S/c1-4-5(6(10)11)8-7(12-4)9(2)3/h1-3H3,(H,10,11)
InChIKeyIIKSVXFMGGXGMC-UHFFFAOYSA-N
XLogP1.22
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-5-methyl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(dimethylamino)-5-methyl-1,3-thiazole-4-carboxylic acid (CID 115422715) is 2-(dimethylamino)-5-methyl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(dimethylamino)-5-methyl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(dimethylamino)-5-methyl-1,3-thiazole-4-carboxylic acid is Cc1sc(N(C)C)nc1C(=O)O.
What is the InChIKey of 2-(dimethylamino)-5-methyl-1,3-thiazole-4-carboxylic acid?
The InChIKey is IIKSVXFMGGXGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-4-5(6(10)11)8-7(12-4)9(2)3/h1-3H3,(H,10,11).
What are the key properties of 2-(dimethylamino)-5-methyl-1,3-thiazole-4-carboxylic acid?
2-(dimethylamino)-5-methyl-1,3-thiazole-4-carboxylic acid has a molecular weight of 186.24 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-5-methyl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 115422715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).