1-cyclopentyl-3-[5-(2-ethoxyphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea

C20H26N4O4S2 — CID 90529704

About 1-cyclopentyl-3-[5-(2-ethoxyphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea

1-cyclopentyl-3-[5-(2-ethoxyphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea (PubChem CID 90529704) has the molecular formula C20H26N4O4S2 and a molecular weight of 450.59 g/mol. Its IUPAC name is 1-cyclopentyl-3-[5-(2-ethoxyphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea.

Molecular Properties

• Compound Name: 1-cyclopentyl-3-[5-(2-ethoxyphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea
• PubChem CID: 90529704
• Molecular Formula: C20H26N4O4S2
• Molecular Weight: 450.59 g/mol
• Exact Mass: 450.14
• IUPAC Name: 1-cyclopentyl-3-[5-(2-ethoxyphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea
• SMILES: CCOc1ccccc1S(=O)(=O)N1CCc2nc(NC(=O)NC3CCCC3)sc2C1
• InChI: InChI=1S/C20H26N4O4S2/c1-2-28-16-9-5-6-10-18(16)30(26,27)24-12-11-15-17(13-24)29-20(22-15)23-19(25)21-14-7-3-4-8-14/h5-6,9-10,14H,2-4,7-8,11-13H2,1H3,(H2,21,22,23,25)
• InChIKey: FQVLKFOWIAAEKP-UHFFFAOYSA-N
• XLogP: 3.35
• TPSA: 100.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.59
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-cyclopentyl-3-[5-(2-ethoxyphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea (CID 90529704) is 1-cyclopentyl-3-[5-(2-ethoxyphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea.

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

The canonical SMILES for 1-cyclopentyl-3-[5-(2-ethoxyphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea is CCOc1ccccc1S(=O)(=O)N1CCc2nc(NC(=O)NC3CCCC3)sc2C1.

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

The InChIKey is FQVLKFOWIAAEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4S2/c1-2-28-16-9-5-6-10-18(16)30(26,27)24-12-11-15-17(13-24)29-20(22-15)23-19(25)21-14-7-3-4-8-14/h5-6,9-10,14H,2-4,7-8,11-13H2,1H3,(H2,21,22,23,25).

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

1-cyclopentyl-3-[5-(2-ethoxyphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea has a molecular weight of 450.59 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopentyl-3-[5-(2-ethoxyphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea is sourced from PubChem (CID 90529704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).