2-ethoxy-N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-2-oxoethyl]benzamide

C18H22N4O3S — CID 31246908

About 2-ethoxy-N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-2-oxoethyl]benzamide

2-ethoxy-N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-2-oxoethyl]benzamide (PubChem CID 31246908) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is 2-ethoxy-N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-2-oxoethyl]benzamide.

Molecular Properties

• Compound Name: 2-ethoxy-N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-2-oxoethyl]benzamide
• PubChem CID: 31246908
• Molecular Formula: C18H22N4O3S
• Molecular Weight: 374.47 g/mol
• Exact Mass: 374.14
• IUPAC Name: 2-ethoxy-N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-2-oxoethyl]benzamide
• SMILES: CCOc1ccccc1C(=O)NCC(=O)Nc1nc2c(s1)CN(C)CC2
• InChI: InChI=1S/C18H22N4O3S/c1-3-25-14-7-5-4-6-12(14)17(24)19-10-16(23)21-18-20-13-8-9-22(2)11-15(13)26-18/h4-7H,3,8-11H2,1-2H3,(H,19,24)(H,20,21,23)
• InChIKey: UVCQHMYCIMRPEJ-UHFFFAOYSA-N
• XLogP: 1.90
• TPSA: 83.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.47
LogP ≤ 5	1.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-2-oxoethyl]benzamide?

The IUPAC name of 2-ethoxy-N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-2-oxoethyl]benzamide (CID 31246908) is 2-ethoxy-N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-2-oxoethyl]benzamide.

What is the SMILES notation for 2-ethoxy-N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-2-oxoethyl]benzamide?

The canonical SMILES for 2-ethoxy-N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-2-oxoethyl]benzamide is CCOc1ccccc1C(=O)NCC(=O)Nc1nc2c(s1)CN(C)CC2.

What is the InChIKey of 2-ethoxy-N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-2-oxoethyl]benzamide?

The InChIKey is UVCQHMYCIMRPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-3-25-14-7-5-4-6-12(14)17(24)19-10-16(23)21-18-20-13-8-9-22(2)11-15(13)26-18/h4-7H,3,8-11H2,1-2H3,(H,19,24)(H,20,21,23).

What are the key properties of 2-ethoxy-N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-2-oxoethyl]benzamide?

2-ethoxy-N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-2-oxoethyl]benzamide has a molecular weight of 374.47 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethoxy-N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 31246908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).