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

C21H21N3O4S2 — CID 50832606

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

N-[5-(4-methoxyphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methylbenzamide (PubChem CID 50832606) has the molecular formula C21H21N3O4S2 and a molecular weight of 443.55 g/mol. Its IUPAC name is N-[5-(4-methoxyphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methylbenzamide.

Molecular Properties

• Compound Name: N-[5-(4-methoxyphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methylbenzamide
• PubChem CID: 50832606
• Molecular Formula: C21H21N3O4S2
• Molecular Weight: 443.55 g/mol
• Exact Mass: 443.10
• IUPAC Name: N-[5-(4-methoxyphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methylbenzamide
• SMILES: COc1ccc(S(=O)(=O)N2CCc3nc(NC(=O)c4cccc(C)c4)sc3C2)cc1
• InChI: InChI=1S/C21H21N3O4S2/c1-14-4-3-5-15(12-14)20(25)23-21-22-18-10-11-24(13-19(18)29-21)30(26,27)17-8-6-16(28-2)7-9-17/h3-9,12H,10-11,13H2,1-2H3,(H,22,23,25)
• InChIKey: NKSHPKLUNMEJCA-UHFFFAOYSA-N
• XLogP: 3.46
• TPSA: 88.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.55
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[5-(4-methoxyphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methylbenzamide (CID 50832606) is N-[5-(4-methoxyphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methylbenzamide.

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

The canonical SMILES for N-[5-(4-methoxyphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methylbenzamide is COc1ccc(S(=O)(=O)N2CCc3nc(NC(=O)c4cccc(C)c4)sc3C2)cc1.

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

The InChIKey is NKSHPKLUNMEJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4S2/c1-14-4-3-5-15(12-14)20(25)23-21-22-18-10-11-24(13-19(18)29-21)30(26,27)17-8-6-16(28-2)7-9-17/h3-9,12H,10-11,13H2,1-2H3,(H,22,23,25).

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

N-[5-(4-methoxyphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methylbenzamide has a molecular weight of 443.55 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(4-methoxyphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methylbenzamide is sourced from PubChem (CID 50832606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).