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

C7H10N2O3S — CID 171397366

IUPAC2-acetamido-4-methyl-4,5-dihydro-1,3-thiazole-5-carboxylic acid
SMILESCC(=O)NC1=NC(C)C(C(=O)O)S1
InChIInChI=1S/C7H10N2O3S/c1-3-5(6(11)12)13-7(8-3)9-4(2)10/h3,5H,1-2H3,(H,11,12)(H,8,9,10)
InChIKeyBNUUFNSRDQMHIZ-UHFFFAOYSA-N
MW202.23 g/mol
LogP0.07
Rot. Bonds1

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

2-acetamido-4-methyl-4,5-dihydro-1,3-thiazole-5-carboxylic acid (PubChem CID 171397366) has the molecular formula C7H10N2O3S and a molecular weight of 202.23 g/mol. Its IUPAC name is 2-acetamido-4-methyl-4,5-dihydro-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-acetamido-4-methyl-4,5-dihydro-1,3-thiazole-5-carboxylic acid
PubChem CID171397366
Molecular FormulaC7H10N2O3S
Molecular Weight202.23 g/mol
Exact Mass202.04
IUPAC Name2-acetamido-4-methyl-4,5-dihydro-1,3-thiazole-5-carboxylic acid
SMILESCC(=O)NC1=NC(C)C(C(=O)O)S1
InChIInChI=1S/C7H10N2O3S/c1-3-5(6(11)12)13-7(8-3)9-4(2)10/h3,5H,1-2H3,(H,11,12)(H,8,9,10)
InChIKeyBNUUFNSRDQMHIZ-UHFFFAOYSA-N
XLogP0.07
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 50.07
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-4,5-dihydro-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-acetamido-4-methyl-4,5-dihydro-1,3-thiazole-5-carboxylic acid (CID 171397366) is 2-acetamido-4-methyl-4,5-dihydro-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-acetamido-4-methyl-4,5-dihydro-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-acetamido-4-methyl-4,5-dihydro-1,3-thiazole-5-carboxylic acid is CC(=O)NC1=NC(C)C(C(=O)O)S1.
What is the InChIKey of 2-acetamido-4-methyl-4,5-dihydro-1,3-thiazole-5-carboxylic acid?
The InChIKey is BNUUFNSRDQMHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3S/c1-3-5(6(11)12)13-7(8-3)9-4(2)10/h3,5H,1-2H3,(H,11,12)(H,8,9,10).
What are the key properties of 2-acetamido-4-methyl-4,5-dihydro-1,3-thiazole-5-carboxylic acid?
2-acetamido-4-methyl-4,5-dihydro-1,3-thiazole-5-carboxylic acid has a molecular weight of 202.23 g/mol, XLogP of 0.07, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-4-methyl-4,5-dihydro-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 171397366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).