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

C14H17N3O3S3 — CID 90525407

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

N-[5-(5-ethylthiophen-2-yl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide (PubChem CID 90525407) has the molecular formula C14H17N3O3S3 and a molecular weight of 371.51 g/mol. Its IUPAC name is N-[5-(5-ethylthiophen-2-yl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[5-(5-ethylthiophen-2-yl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
• PubChem CID: 90525407
• Molecular Formula: C14H17N3O3S3
• Molecular Weight: 371.51 g/mol
• Exact Mass: 371.04
• IUPAC Name: N-[5-(5-ethylthiophen-2-yl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
• SMILES: CCc1ccc(S(=O)(=O)N2CCc3nc(NC(C)=O)sc3C2)s1
• InChI: InChI=1S/C14H17N3O3S3/c1-3-10-4-5-13(21-10)23(19,20)17-7-6-11-12(8-17)22-14(16-11)15-9(2)18/h4-5H,3,6-8H2,1-2H3,(H,15,16,18)
• InChIKey: AGBXPISVOHVJCM-UHFFFAOYSA-N
• XLogP: 2.47
• TPSA: 79.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.51
LogP ≤ 5	2.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[5-(5-ethylthiophen-2-yl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide (CID 90525407) is N-[5-(5-ethylthiophen-2-yl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide.

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

The canonical SMILES for N-[5-(5-ethylthiophen-2-yl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide is CCc1ccc(S(=O)(=O)N2CCc3nc(NC(C)=O)sc3C2)s1.

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

The InChIKey is AGBXPISVOHVJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S3/c1-3-10-4-5-13(21-10)23(19,20)17-7-6-11-12(8-17)22-14(16-11)15-9(2)18/h4-5H,3,6-8H2,1-2H3,(H,15,16,18).

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

N-[5-(5-ethylthiophen-2-yl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide has a molecular weight of 371.51 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(5-ethylthiophen-2-yl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide is sourced from PubChem (CID 90525407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).