1-cyclopentyl-3-[5-(8-methoxy-2-oxochromene-3-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea

C23H24N4O5S — CID 90529455

About 1-cyclopentyl-3-[5-(8-methoxy-2-oxochromene-3-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea

1-cyclopentyl-3-[5-(8-methoxy-2-oxochromene-3-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea (PubChem CID 90529455) has the molecular formula C23H24N4O5S and a molecular weight of 468.54 g/mol. Its IUPAC name is 1-cyclopentyl-3-[5-(8-methoxy-2-oxochromene-3-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea.

Molecular Properties

• Compound Name: 1-cyclopentyl-3-[5-(8-methoxy-2-oxochromene-3-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea
• PubChem CID: 90529455
• Molecular Formula: C23H24N4O5S
• Molecular Weight: 468.54 g/mol
• Exact Mass: 468.15
• IUPAC Name: 1-cyclopentyl-3-[5-(8-methoxy-2-oxochromene-3-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea
• SMILES: COc1cccc2cc(C(=O)N3CCc4nc(NC(=O)NC5CCCC5)sc4C3)c(=O)oc12
• InChI: InChI=1S/C23H24N4O5S/c1-31-17-8-4-5-13-11-15(21(29)32-19(13)17)20(28)27-10-9-16-18(12-27)33-23(25-16)26-22(30)24-14-6-2-3-7-14/h4-5,8,11,14H,2-3,6-7,9-10,12H2,1H3,(H2,24,25,26,30)
• InChIKey: YIFHTWQCAFGFDO-UHFFFAOYSA-N
• XLogP: 3.52
• TPSA: 113.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.54
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'cumarine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[5-(8-methoxy-2-oxochromene-3-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea?

The IUPAC name of 1-cyclopentyl-3-[5-(8-methoxy-2-oxochromene-3-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea (CID 90529455) is 1-cyclopentyl-3-[5-(8-methoxy-2-oxochromene-3-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea.

What is the SMILES notation for 1-cyclopentyl-3-[5-(8-methoxy-2-oxochromene-3-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea?

The canonical SMILES for 1-cyclopentyl-3-[5-(8-methoxy-2-oxochromene-3-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea is COc1cccc2cc(C(=O)N3CCc4nc(NC(=O)NC5CCCC5)sc4C3)c(=O)oc12.

What is the InChIKey of 1-cyclopentyl-3-[5-(8-methoxy-2-oxochromene-3-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea?

The InChIKey is YIFHTWQCAFGFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O5S/c1-31-17-8-4-5-13-11-15(21(29)32-19(13)17)20(28)27-10-9-16-18(12-27)33-23(25-16)26-22(30)24-14-6-2-3-7-14/h4-5,8,11,14H,2-3,6-7,9-10,12H2,1H3,(H2,24,25,26,30).

What are the key properties of 1-cyclopentyl-3-[5-(8-methoxy-2-oxochromene-3-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea?

1-cyclopentyl-3-[5-(8-methoxy-2-oxochromene-3-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea has a molecular weight of 468.54 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopentyl-3-[5-(8-methoxy-2-oxochromene-3-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea is sourced from PubChem (CID 90529455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).