4-methyl-2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazole-5-carboxylic acid

C9H11N3O3S — CID 68882034

IUPAC4-methyl-2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(N2CCCNC2=O)sc1C(=O)O
InChIInChI=1S/C9H11N3O3S/c1-5-6(7(13)14)16-9(11-5)12-4-2-3-10-8(12)15/h2-4H2,1H3,(H,10,15)(H,13,14)
InChIKeyDZMVBNWCAGXUMN-UHFFFAOYSA-N
MW241.27 g/mol
LogP1.07
Rot. Bonds2

About 4-methyl-2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazole-5-carboxylic acid

4-methyl-2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazole-5-carboxylic acid (PubChem CID 68882034) has the molecular formula C9H11N3O3S and a molecular weight of 241.27 g/mol. Its IUPAC name is 4-methyl-2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazole-5-carboxylic acid
PubChem CID68882034
Molecular FormulaC9H11N3O3S
Molecular Weight241.27 g/mol
Exact Mass241.05
IUPAC Name4-methyl-2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(N2CCCNC2=O)sc1C(=O)O
InChIInChI=1S/C9H11N3O3S/c1-5-6(7(13)14)16-9(11-5)12-4-2-3-10-8(12)15/h2-4H2,1H3,(H,10,15)(H,13,14)
InChIKeyDZMVBNWCAGXUMN-UHFFFAOYSA-N
XLogP1.07
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-methyl-2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-methyl-2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazole-5-carboxylic acid (CID 68882034) is 4-methyl-2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazole-5-carboxylic acid is Cc1nc(N2CCCNC2=O)sc1C(=O)O.
What is the InChIKey of 4-methyl-2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is DZMVBNWCAGXUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3S/c1-5-6(7(13)14)16-9(11-5)12-4-2-3-10-8(12)15/h2-4H2,1H3,(H,10,15)(H,13,14).
What are the key properties of 4-methyl-2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazole-5-carboxylic acid?
4-methyl-2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 241.27 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-oxo-1,3-diazinan-1-yl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 68882034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).