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

C24H30N4O3S — CID 90529459

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

1-cyclopentyl-3-[5-(4-phenyloxane-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea (PubChem CID 90529459) has the molecular formula C24H30N4O3S and a molecular weight of 454.60 g/mol. Its IUPAC name is 1-cyclopentyl-3-[5-(4-phenyloxane-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea.

Molecular Properties

• Compound Name: 1-cyclopentyl-3-[5-(4-phenyloxane-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea
• PubChem CID: 90529459
• Molecular Formula: C24H30N4O3S
• Molecular Weight: 454.60 g/mol
• Exact Mass: 454.20
• IUPAC Name: 1-cyclopentyl-3-[5-(4-phenyloxane-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea
• SMILES: O=C(Nc1nc2c(s1)CN(C(=O)C1(c3ccccc3)CCOCC1)CC2)NC1CCCC1
• InChI: InChI=1S/C24H30N4O3S/c29-21(24(11-14-31-15-12-24)17-6-2-1-3-7-17)28-13-10-19-20(16-28)32-23(26-19)27-22(30)25-18-8-4-5-9-18/h1-3,6-7,18H,4-5,8-16H2,(H2,25,26,27,30)
• InChIKey: NHZPGEYOQSHLIH-UHFFFAOYSA-N
• XLogP: 3.84
• TPSA: 83.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.60
LogP ≤ 5	3.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-cyclopentyl-3-[5-(4-phenyloxane-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea (CID 90529459) is 1-cyclopentyl-3-[5-(4-phenyloxane-4-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-(4-phenyloxane-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea?

The canonical SMILES for 1-cyclopentyl-3-[5-(4-phenyloxane-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea is O=C(Nc1nc2c(s1)CN(C(=O)C1(c3ccccc3)CCOCC1)CC2)NC1CCCC1.

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

The InChIKey is NHZPGEYOQSHLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3S/c29-21(24(11-14-31-15-12-24)17-6-2-1-3-7-17)28-13-10-19-20(16-28)32-23(26-19)27-22(30)25-18-8-4-5-9-18/h1-3,6-7,18H,4-5,8-16H2,(H2,25,26,27,30).

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

1-cyclopentyl-3-[5-(4-phenyloxane-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea has a molecular weight of 454.60 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopentyl-3-[5-(4-phenyloxane-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea is sourced from PubChem (CID 90529459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).