N-[5-[5-(3-hydroxypiperidin-1-yl)sulfonylthiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide

C15H19N3O4S3 — CID 11999019

About N-[5-[5-(3-hydroxypiperidin-1-yl)sulfonylthiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide

N-[5-[5-(3-hydroxypiperidin-1-yl)sulfonylthiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide (PubChem CID 11999019) has the molecular formula C15H19N3O4S3 and a molecular weight of 401.54 g/mol. Its IUPAC name is N-[5-[5-(3-hydroxypiperidin-1-yl)sulfonylthiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[5-[5-(3-hydroxypiperidin-1-yl)sulfonylthiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
• PubChem CID: 11999019
• Molecular Formula: C15H19N3O4S3
• Molecular Weight: 401.54 g/mol
• Exact Mass: 401.05
• IUPAC Name: N-[5-[5-(3-hydroxypiperidin-1-yl)sulfonylthiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
• SMILES: CC(=O)Nc1nc(C)c(-c2csc(S(=O)(=O)N3CCCC(O)C3)c2)s1
• InChI: InChI=1S/C15H19N3O4S3/c1-9-14(24-15(16-9)17-10(2)19)11-6-13(23-8-11)25(21,22)18-5-3-4-12(20)7-18/h6,8,12,20H,3-5,7H2,1-2H3,(H,16,17,19)
• InChIKey: OBMHDQABUFBCOV-UHFFFAOYSA-N
• XLogP: 2.28
• TPSA: 99.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.54
LogP ≤ 5	2.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-(3-hydroxypiperidin-1-yl)sulfonylthiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?

The IUPAC name of N-[5-[5-(3-hydroxypiperidin-1-yl)sulfonylthiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide (CID 11999019) is N-[5-[5-(3-hydroxypiperidin-1-yl)sulfonylthiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide.

What is the SMILES notation for N-[5-[5-(3-hydroxypiperidin-1-yl)sulfonylthiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?

The canonical SMILES for N-[5-[5-(3-hydroxypiperidin-1-yl)sulfonylthiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C)c(-c2csc(S(=O)(=O)N3CCCC(O)C3)c2)s1.

What is the InChIKey of N-[5-[5-(3-hydroxypiperidin-1-yl)sulfonylthiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?

The InChIKey is OBMHDQABUFBCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S3/c1-9-14(24-15(16-9)17-10(2)19)11-6-13(23-8-11)25(21,22)18-5-3-4-12(20)7-18/h6,8,12,20H,3-5,7H2,1-2H3,(H,16,17,19).

What are the key properties of N-[5-[5-(3-hydroxypiperidin-1-yl)sulfonylthiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?

N-[5-[5-(3-hydroxypiperidin-1-yl)sulfonylthiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 401.54 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[5-(3-hydroxypiperidin-1-yl)sulfonylthiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 11999019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).