2-(4-ethoxyphenyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazole-4-carboxamide

C19H20N4O2S2 — CID 35994648

About 2-(4-ethoxyphenyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazole-4-carboxamide

2-(4-ethoxyphenyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 35994648) has the molecular formula C19H20N4O2S2 and a molecular weight of 400.53 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-(4-ethoxyphenyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazole-4-carboxamide
• PubChem CID: 35994648
• Molecular Formula: C19H20N4O2S2
• Molecular Weight: 400.53 g/mol
• Exact Mass: 400.10
• IUPAC Name: 2-(4-ethoxyphenyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazole-4-carboxamide
• SMILES: CCOc1ccc(-c2nc(C(=O)Nc3nc4c(s3)CN(C)CC4)cs2)cc1
• InChI: InChI=1S/C19H20N4O2S2/c1-3-25-13-6-4-12(5-7-13)18-20-15(11-26-18)17(24)22-19-21-14-8-9-23(2)10-16(14)27-19/h4-7,11H,3,8-10H2,1-2H3,(H,21,22,24)
• InChIKey: SYXKGQGANITRKI-UHFFFAOYSA-N
• XLogP: 3.91
• TPSA: 67.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.53
LogP ≤ 5	3.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-(4-ethoxyphenyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazole-4-carboxamide (CID 35994648) is 2-(4-ethoxyphenyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazole-4-carboxamide.

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

The canonical SMILES for 2-(4-ethoxyphenyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazole-4-carboxamide is CCOc1ccc(-c2nc(C(=O)Nc3nc4c(s3)CN(C)CC4)cs2)cc1.

What is the InChIKey of 2-(4-ethoxyphenyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazole-4-carboxamide?

The InChIKey is SYXKGQGANITRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S2/c1-3-25-13-6-4-12(5-7-13)18-20-15(11-26-18)17(24)22-19-21-14-8-9-23(2)10-16(14)27-19/h4-7,11H,3,8-10H2,1-2H3,(H,21,22,24).

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

2-(4-ethoxyphenyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 400.53 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-ethoxyphenyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 35994648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).