methyl 6-[3-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-oxopropyl]pyridine-2-carboxylate

C18H17N3O3S2 — CID 160783527

About methyl 6-[3-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-oxopropyl]pyridine-2-carboxylate

methyl 6-[3-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-oxopropyl]pyridine-2-carboxylate (PubChem CID 160783527) has the molecular formula C18H17N3O3S2 and a molecular weight of 387.49 g/mol. Its IUPAC name is methyl 6-[3-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-oxopropyl]pyridine-2-carboxylate.

Molecular Properties

• Compound Name: methyl 6-[3-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-oxopropyl]pyridine-2-carboxylate
• PubChem CID: 160783527
• Molecular Formula: C18H17N3O3S2
• Molecular Weight: 387.49 g/mol
• Exact Mass: 387.07
• IUPAC Name: methyl 6-[3-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-oxopropyl]pyridine-2-carboxylate
• SMILES: COC(=O)c1cccc(CC(=O)Cc2nc(-c3sc(C)nc3C)cs2)n1
• InChI: InChI=1S/C18H17N3O3S2/c1-10-17(26-11(2)19-10)15-9-25-16(21-15)8-13(22)7-12-5-4-6-14(20-12)18(23)24-3/h4-6,9H,7-8H2,1-3H3
• InChIKey: SAXAJQUYJNAJHV-UHFFFAOYSA-N
• XLogP: 3.42
• TPSA: 82.04 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.49
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of methyl 6-[3-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-oxopropyl]pyridine-2-carboxylate?

The IUPAC name of methyl 6-[3-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-oxopropyl]pyridine-2-carboxylate (CID 160783527) is methyl 6-[3-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-oxopropyl]pyridine-2-carboxylate.

What is the SMILES notation for methyl 6-[3-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-oxopropyl]pyridine-2-carboxylate?

The canonical SMILES for methyl 6-[3-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-oxopropyl]pyridine-2-carboxylate is COC(=O)c1cccc(CC(=O)Cc2nc(-c3sc(C)nc3C)cs2)n1.

What is the InChIKey of methyl 6-[3-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-oxopropyl]pyridine-2-carboxylate?

The InChIKey is SAXAJQUYJNAJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S2/c1-10-17(26-11(2)19-10)15-9-25-16(21-15)8-13(22)7-12-5-4-6-14(20-12)18(23)24-3/h4-6,9H,7-8H2,1-3H3.

What are the key properties of methyl 6-[3-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-oxopropyl]pyridine-2-carboxylate?

methyl 6-[3-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-oxopropyl]pyridine-2-carboxylate has a molecular weight of 387.49 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 6-[3-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-oxopropyl]pyridine-2-carboxylate is sourced from PubChem (CID 160783527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).