2-(3-methoxyphenyl)-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide

C18H23N3O4S2 — CID 90532812

About 2-(3-methoxyphenyl)-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide

2-(3-methoxyphenyl)-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide (PubChem CID 90532812) has the molecular formula C18H23N3O4S2 and a molecular weight of 409.53 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-(3-methoxyphenyl)-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
• PubChem CID: 90532812
• Molecular Formula: C18H23N3O4S2
• Molecular Weight: 409.53 g/mol
• Exact Mass: 409.11
• IUPAC Name: 2-(3-methoxyphenyl)-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
• SMILES: COc1cccc(CC(=O)Nc2nc3c(s2)CN(S(=O)(=O)C(C)C)CC3)c1
• InChI: InChI=1S/C18H23N3O4S2/c1-12(2)27(23,24)21-8-7-15-16(11-21)26-18(19-15)20-17(22)10-13-5-4-6-14(9-13)25-3/h4-6,9,12H,7-8,10-11H2,1-3H3,(H,19,20,22)
• InChIKey: ILHGAWGAFJSTOG-UHFFFAOYSA-N
• XLogP: 2.43
• TPSA: 88.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.53
LogP ≤ 5	2.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide?

The IUPAC name of 2-(3-methoxyphenyl)-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide (CID 90532812) is 2-(3-methoxyphenyl)-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide.

What is the SMILES notation for 2-(3-methoxyphenyl)-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide?

The canonical SMILES for 2-(3-methoxyphenyl)-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide is COc1cccc(CC(=O)Nc2nc3c(s2)CN(S(=O)(=O)C(C)C)CC3)c1.

What is the InChIKey of 2-(3-methoxyphenyl)-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide?

The InChIKey is ILHGAWGAFJSTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S2/c1-12(2)27(23,24)21-8-7-15-16(11-21)26-18(19-15)20-17(22)10-13-5-4-6-14(9-13)25-3/h4-6,9,12H,7-8,10-11H2,1-3H3,(H,19,20,22).

What are the key properties of 2-(3-methoxyphenyl)-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide?

2-(3-methoxyphenyl)-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide has a molecular weight of 409.53 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-methoxyphenyl)-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide is sourced from PubChem (CID 90532812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).