7-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonyl-7-azabicyclo[2.2.1]heptane-2-carboxylic acid

C15H16N2O4S3 — CID 122072267

About 7-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonyl-7-azabicyclo[2.2.1]heptane-2-carboxylic acid

7-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonyl-7-azabicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 122072267) has the molecular formula C15H16N2O4S3 and a molecular weight of 384.50 g/mol. Its IUPAC name is 7-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonyl-7-azabicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

• Compound Name: 7-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonyl-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
• PubChem CID: 122072267
• Molecular Formula: C15H16N2O4S3
• Molecular Weight: 384.50 g/mol
• Exact Mass: 384.03
• IUPAC Name: 7-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonyl-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
• SMILES: Cc1nc(-c2ccc(S(=O)(=O)N3C4CCC3C(C(=O)O)C4)s2)cs1
• InChI: InChI=1S/C15H16N2O4S3/c1-8-16-11(7-22-8)13-4-5-14(23-13)24(20,21)17-9-2-3-12(17)10(6-9)15(18)19/h4-5,7,9-10,12H,2-3,6H2,1H3,(H,18,19)
• InChIKey: YMCJDGJMERIBJB-UHFFFAOYSA-N
• XLogP: 2.81
• TPSA: 87.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.50
LogP ≤ 5	2.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonyl-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?

The IUPAC name of 7-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonyl-7-azabicyclo[2.2.1]heptane-2-carboxylic acid (CID 122072267) is 7-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonyl-7-azabicyclo[2.2.1]heptane-2-carboxylic acid.

What is the SMILES notation for 7-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonyl-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?

The canonical SMILES for 7-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonyl-7-azabicyclo[2.2.1]heptane-2-carboxylic acid is Cc1nc(-c2ccc(S(=O)(=O)N3C4CCC3C(C(=O)O)C4)s2)cs1.

What is the InChIKey of 7-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonyl-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?

The InChIKey is YMCJDGJMERIBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S3/c1-8-16-11(7-22-8)13-4-5-14(23-13)24(20,21)17-9-2-3-12(17)10(6-9)15(18)19/h4-5,7,9-10,12H,2-3,6H2,1H3,(H,18,19).

What are the key properties of 7-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonyl-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?

7-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonyl-7-azabicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 384.50 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonyl-7-azabicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 122072267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).