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

C10H11N3O2S2 — CID 63841140

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

2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid (PubChem CID 63841140) has the molecular formula C10H11N3O2S2 and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

• Compound Name: 2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid
• PubChem CID: 63841140
• Molecular Formula: C10H11N3O2S2
• Molecular Weight: 269.35 g/mol
• Exact Mass: 269.03
• IUPAC Name: 2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid
• SMILES: Cc1ncsc1CN(C)c1ncc(C(=O)O)s1
• InChI: InChI=1S/C10H11N3O2S2/c1-6-8(16-5-12-6)4-13(2)10-11-3-7(17-10)9(14)15/h3,5H,4H2,1-2H3,(H,14,15)
• InChIKey: QUYOZXDVGXJCSF-UHFFFAOYSA-N
• XLogP: 2.24
• TPSA: 66.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	269.35
LogP ≤ 5	2.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid (CID 63841140) is 2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid.

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

The canonical SMILES for 2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid is Cc1ncsc1CN(C)c1ncc(C(=O)O)s1.

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

The InChIKey is QUYOZXDVGXJCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S2/c1-6-8(16-5-12-6)4-13(2)10-11-3-7(17-10)9(14)15/h3,5H,4H2,1-2H3,(H,14,15).

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

2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid has a molecular weight of 269.35 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 63841140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).