4-methyl-2-[methyl(oxan-4-yl)amino]-1,3-thiazole-5-carboxylic acid

C11H16N2O3S — CID 62764084

IUPAC4-methyl-2-[methyl(oxan-4-yl)amino]-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(N(C)C2CCOCC2)sc1C(=O)O
InChIInChI=1S/C11H16N2O3S/c1-7-9(10(14)15)17-11(12-7)13(2)8-3-5-16-6-4-8/h8H,3-6H2,1-2H3,(H,14,15)
InChIKeyUOWTVWSVYDQVRV-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.76
Rot. Bonds3

About 4-methyl-2-[methyl(oxan-4-yl)amino]-1,3-thiazole-5-carboxylic acid

4-methyl-2-[methyl(oxan-4-yl)amino]-1,3-thiazole-5-carboxylic acid (PubChem CID 62764084) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 4-methyl-2-[methyl(oxan-4-yl)amino]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-[methyl(oxan-4-yl)amino]-1,3-thiazole-5-carboxylic acid
PubChem CID62764084
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name4-methyl-2-[methyl(oxan-4-yl)amino]-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(N(C)C2CCOCC2)sc1C(=O)O
InChIInChI=1S/C11H16N2O3S/c1-7-9(10(14)15)17-11(12-7)13(2)8-3-5-16-6-4-8/h8H,3-6H2,1-2H3,(H,14,15)
InChIKeyUOWTVWSVYDQVRV-UHFFFAOYSA-N
XLogP1.76
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methyl-2-[methyl(oxan-4-yl)amino]-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-[methyl(oxan-4-yl)amino]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-methyl-2-[methyl(oxan-4-yl)amino]-1,3-thiazole-5-carboxylic acid (CID 62764084) is 4-methyl-2-[methyl(oxan-4-yl)amino]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-[methyl(oxan-4-yl)amino]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-[methyl(oxan-4-yl)amino]-1,3-thiazole-5-carboxylic acid is Cc1nc(N(C)C2CCOCC2)sc1C(=O)O.
What is the InChIKey of 4-methyl-2-[methyl(oxan-4-yl)amino]-1,3-thiazole-5-carboxylic acid?
The InChIKey is UOWTVWSVYDQVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-7-9(10(14)15)17-11(12-7)13(2)8-3-5-16-6-4-8/h8H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 4-methyl-2-[methyl(oxan-4-yl)amino]-1,3-thiazole-5-carboxylic acid?
4-methyl-2-[methyl(oxan-4-yl)amino]-1,3-thiazole-5-carboxylic acid has a molecular weight of 256.33 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[methyl(oxan-4-yl)amino]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 62764084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).