2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-5-methyl-1,3-thiazole-4-carboxylic acid

C11H13N3O3S — CID 106378320

About 2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-5-methyl-1,3-thiazole-4-carboxylic acid

2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-5-methyl-1,3-thiazole-4-carboxylic acid (PubChem CID 106378320) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is 2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-5-methyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

• Compound Name: 2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-5-methyl-1,3-thiazole-4-carboxylic acid
• PubChem CID: 106378320
• Molecular Formula: C11H13N3O3S
• Molecular Weight: 267.31 g/mol
• Exact Mass: 267.07
• IUPAC Name: 2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-5-methyl-1,3-thiazole-4-carboxylic acid
• SMILES: CCc1cnc(CNc2nc(C(=O)O)c(C)s2)o1
• InChI: InChI=1S/C11H13N3O3S/c1-3-7-4-12-8(17-7)5-13-11-14-9(10(15)16)6(2)18-11/h4H,3,5H2,1-2H3,(H,13,14)(H,15,16)
• InChIKey: LVUYNBHZRNECLY-UHFFFAOYSA-N
• XLogP: 2.31
• TPSA: 88.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	267.31
LogP ≤ 5	2.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-5-methyl-1,3-thiazole-4-carboxylic acid?

The IUPAC name of 2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-5-methyl-1,3-thiazole-4-carboxylic acid (CID 106378320) is 2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-5-methyl-1,3-thiazole-4-carboxylic acid.

What is the SMILES notation for 2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-5-methyl-1,3-thiazole-4-carboxylic acid?

The canonical SMILES for 2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-5-methyl-1,3-thiazole-4-carboxylic acid is CCc1cnc(CNc2nc(C(=O)O)c(C)s2)o1.

What is the InChIKey of 2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-5-methyl-1,3-thiazole-4-carboxylic acid?

The InChIKey is LVUYNBHZRNECLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c1-3-7-4-12-8(17-7)5-13-11-14-9(10(15)16)6(2)18-11/h4H,3,5H2,1-2H3,(H,13,14)(H,15,16).

What are the key properties of 2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-5-methyl-1,3-thiazole-4-carboxylic acid?

2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-5-methyl-1,3-thiazole-4-carboxylic acid has a molecular weight of 267.31 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-5-methyl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 106378320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).