2-acetamido-4-methyl-1,3-thiazole-5-carboxylic acid

C7H8N2O3S — CID 856840

IUPAC2-acetamido-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCC(=O)Nc1nc(C)c(C(=O)O)s1
InChIInChI=1S/C7H8N2O3S/c1-3-5(6(11)12)13-7(8-3)9-4(2)10/h1-2H3,(H,11,12)(H,8,9,10)
InChIKeyQNBIYKNODXVOFV-UHFFFAOYSA-N
MW200.22 g/mol
LogP1.11
Rot. Bonds2

About 2-acetamido-4-methyl-1,3-thiazole-5-carboxylic acid

2-acetamido-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 856840) has the molecular formula C7H8N2O3S and a molecular weight of 200.22 g/mol. Its IUPAC name is 2-acetamido-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-acetamido-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID856840
Molecular FormulaC7H8N2O3S
Molecular Weight200.22 g/mol
Exact Mass200.03
IUPAC Name2-acetamido-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCC(=O)Nc1nc(C)c(C(=O)O)s1
InChIInChI=1S/C7H8N2O3S/c1-3-5(6(11)12)13-7(8-3)9-4(2)10/h1-2H3,(H,11,12)(H,8,9,10)
InChIKeyQNBIYKNODXVOFV-UHFFFAOYSA-N
XLogP1.11
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.22
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-acetamido-4-methyl-1,3-thiazole-5-carboxylic acid (CID 856840) is 2-acetamido-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-acetamido-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-acetamido-4-methyl-1,3-thiazole-5-carboxylic acid is CC(=O)Nc1nc(C)c(C(=O)O)s1.
What is the InChIKey of 2-acetamido-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is QNBIYKNODXVOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3S/c1-3-5(6(11)12)13-7(8-3)9-4(2)10/h1-2H3,(H,11,12)(H,8,9,10).
What are the key properties of 2-acetamido-4-methyl-1,3-thiazole-5-carboxylic acid?
2-acetamido-4-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 200.22 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 856840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).