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

C19H24ClN3O4S2 — CID 90532745

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

2-(4-chlorophenoxy)-2-methyl-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide (PubChem CID 90532745) has the molecular formula C19H24ClN3O4S2 and a molecular weight of 458.01 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-2-methyl-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide.

Molecular Properties

• Compound Name: 2-(4-chlorophenoxy)-2-methyl-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide
• PubChem CID: 90532745
• Molecular Formula: C19H24ClN3O4S2
• Molecular Weight: 458.01 g/mol
• Exact Mass: 457.09
• IUPAC Name: 2-(4-chlorophenoxy)-2-methyl-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide
• SMILES: CC(C)S(=O)(=O)N1CCc2nc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)sc2C1
• InChI: InChI=1S/C19H24ClN3O4S2/c1-12(2)29(25,26)23-10-9-15-16(11-23)28-18(21-15)22-17(24)19(3,4)27-14-7-5-13(20)6-8-14/h5-8,12H,9-11H2,1-4H3,(H,21,22,24)
• InChIKey: LOBOAERIRGZLLE-UHFFFAOYSA-N
• XLogP: 3.69
• TPSA: 88.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.01
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide (CID 90532745) is 2-(4-chlorophenoxy)-2-methyl-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide.

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

The canonical SMILES for 2-(4-chlorophenoxy)-2-methyl-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide is CC(C)S(=O)(=O)N1CCc2nc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)sc2C1.

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

The InChIKey is LOBOAERIRGZLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O4S2/c1-12(2)29(25,26)23-10-9-15-16(11-23)28-18(21-15)22-17(24)19(3,4)27-14-7-5-13(20)6-8-14/h5-8,12H,9-11H2,1-4H3,(H,21,22,24).

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

2-(4-chlorophenoxy)-2-methyl-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide has a molecular weight of 458.01 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorophenoxy)-2-methyl-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide is sourced from PubChem (CID 90532745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).