[(2S)-1-anilino-1-oxopropan-2-yl] 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate

C19H17N3O3S — CID 9137688

About [(2S)-1-anilino-1-oxopropan-2-yl] 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate

[(2S)-1-anilino-1-oxopropan-2-yl] 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate (PubChem CID 9137688) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is [(2S)-1-anilino-1-oxopropan-2-yl] 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate.

Molecular Properties

• Compound Name: [(2S)-1-anilino-1-oxopropan-2-yl] 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate
• PubChem CID: 9137688
• Molecular Formula: C19H17N3O3S
• Molecular Weight: 367.43 g/mol
• Exact Mass: 367.10
• IUPAC Name: [(2S)-1-anilino-1-oxopropan-2-yl] 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate
• SMILES: Cc1nc(-c2ccccn2)sc1C(=O)O[C@@H](C)C(=O)Nc1ccccc1
• InChI: InChI=1S/C19H17N3O3S/c1-12-16(26-18(21-12)15-10-6-7-11-20-15)19(24)25-13(2)17(23)22-14-8-4-3-5-9-14/h3-11,13H,1-2H3,(H,22,23)/t13-/m0/s1
• InChIKey: GSZSWMSDHZBDAP-ZDUSSCGKSA-N
• XLogP: 3.70
• TPSA: 81.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.43
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-anilino-1-oxopropan-2-yl] 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate?

The IUPAC name of [(2S)-1-anilino-1-oxopropan-2-yl] 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate (CID 9137688) is [(2S)-1-anilino-1-oxopropan-2-yl] 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate.

What is the SMILES notation for [(2S)-1-anilino-1-oxopropan-2-yl] 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate?

The canonical SMILES for [(2S)-1-anilino-1-oxopropan-2-yl] 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate is Cc1nc(-c2ccccn2)sc1C(=O)O[C@@H](C)C(=O)Nc1ccccc1.

What is the InChIKey of [(2S)-1-anilino-1-oxopropan-2-yl] 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate?

The InChIKey is GSZSWMSDHZBDAP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-12-16(26-18(21-12)15-10-6-7-11-20-15)19(24)25-13(2)17(23)22-14-8-4-3-5-9-14/h3-11,13H,1-2H3,(H,22,23)/t13-/m0/s1.

What are the key properties of [(2S)-1-anilino-1-oxopropan-2-yl] 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate?

[(2S)-1-anilino-1-oxopropan-2-yl] 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate has a molecular weight of 367.43 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-1-anilino-1-oxopropan-2-yl] 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 9137688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).