2-acetamido-1,3-thiazole-4-carboxylic acid

C6H6N2O3S — CID 840113

IUPAC2-acetamido-1,3-thiazole-4-carboxylic acid
SMILESCC(=O)Nc1nc(C(=O)O)cs1
InChIInChI=1S/C6H6N2O3S/c1-3(9)7-6-8-4(2-12-6)5(10)11/h2H,1H3,(H,10,11)(H,7,8,9)
InChIKeyZKINQVZUSLLCJY-UHFFFAOYSA-N
MW186.19 g/mol
LogP0.80
Rot. Bonds2

About 2-acetamido-1,3-thiazole-4-carboxylic acid

2-acetamido-1,3-thiazole-4-carboxylic acid (PubChem CID 840113) has the molecular formula C6H6N2O3S and a molecular weight of 186.19 g/mol. Its IUPAC name is 2-acetamido-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-acetamido-1,3-thiazole-4-carboxylic acid
PubChem CID840113
Molecular FormulaC6H6N2O3S
Molecular Weight186.19 g/mol
Exact Mass186.01
IUPAC Name2-acetamido-1,3-thiazole-4-carboxylic acid
SMILESCC(=O)Nc1nc(C(=O)O)cs1
InChIInChI=1S/C6H6N2O3S/c1-3(9)7-6-8-4(2-12-6)5(10)11/h2H,1H3,(H,10,11)(H,7,8,9)
InChIKeyZKINQVZUSLLCJY-UHFFFAOYSA-N
XLogP0.80
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.19
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 2-acetamido-1,3-thiazole-4-carboxylate
CID 702548
2-Aminothiazole-4-carboxylic acid
CID 1501882
Ethyl 2-butanamido-1,3-thiazole-4-carboxylate
CID 2326262
2-Amino-1,3-thiazole-4-carboxylic acid, N-BOC protected
CID 1502051
2-Amino-4-thiazolecarboxylic acid hydrobromide
CID 16217717
2-(Cyclopropylamino)-1,3-thiazole-4-carboxylic acid
CID 45494574
2-(Ethylamino)-1,3-thiazole-4-carboxylic acid
CID 22250124
Potassium 2-(allylamino)-1,3-thiazole-4-carboxylate
CID 23678894
2-(Methylamino)-1,3-thiazole-4-carboxylic acid
CID 45032346
2-[(2-Methyl-1,3-thiazole-4-carbonyl)amino]-1,3-thiazole-4-carboxylic acid
CID 137638331
2-[(2-Acetamido-1,3-thiazole-4-carbonyl)amino]-1,3-thiazole-4-carboxylic acid
CID 137654437
2-Acetylaminothiazol-4-carboxamide
CID 257200

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-acetamido-1,3-thiazole-4-carboxylic acid (CID 840113) is 2-acetamido-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-acetamido-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-acetamido-1,3-thiazole-4-carboxylic acid is CC(=O)Nc1nc(C(=O)O)cs1.
What is the InChIKey of 2-acetamido-1,3-thiazole-4-carboxylic acid?
The InChIKey is ZKINQVZUSLLCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O3S/c1-3(9)7-6-8-4(2-12-6)5(10)11/h2H,1H3,(H,10,11)(H,7,8,9).
What are the key properties of 2-acetamido-1,3-thiazole-4-carboxylic acid?
2-acetamido-1,3-thiazole-4-carboxylic acid has a molecular weight of 186.19 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 840113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).