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

C18H24N6O2S2 — CID 90529457

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

1-cyclopentyl-3-[5-(4-propylthiadiazole-5-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea (PubChem CID 90529457) has the molecular formula C18H24N6O2S2 and a molecular weight of 420.56 g/mol. Its IUPAC name is 1-cyclopentyl-3-[5-(4-propylthiadiazole-5-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea.

Molecular Properties

• Compound Name: 1-cyclopentyl-3-[5-(4-propylthiadiazole-5-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea
• PubChem CID: 90529457
• Molecular Formula: C18H24N6O2S2
• Molecular Weight: 420.56 g/mol
• Exact Mass: 420.14
• IUPAC Name: 1-cyclopentyl-3-[5-(4-propylthiadiazole-5-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea
• SMILES: CCCc1nnsc1C(=O)N1CCc2nc(NC(=O)NC3CCCC3)sc2C1
• InChI: InChI=1S/C18H24N6O2S2/c1-2-5-13-15(28-23-22-13)16(25)24-9-8-12-14(10-24)27-18(20-12)21-17(26)19-11-6-3-4-7-11/h11H,2-10H2,1H3,(H2,19,20,21,26)
• InChIKey: JCWOWZPSLJQYQS-UHFFFAOYSA-N
• XLogP: 3.21
• TPSA: 100.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.56
LogP ≤ 5	3.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-cyclopentyl-3-[5-(4-propylthiadiazole-5-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea (CID 90529457) is 1-cyclopentyl-3-[5-(4-propylthiadiazole-5-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-propylthiadiazole-5-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea?

The canonical SMILES for 1-cyclopentyl-3-[5-(4-propylthiadiazole-5-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea is CCCc1nnsc1C(=O)N1CCc2nc(NC(=O)NC3CCCC3)sc2C1.

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

The InChIKey is JCWOWZPSLJQYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2S2/c1-2-5-13-15(28-23-22-13)16(25)24-9-8-12-14(10-24)27-18(20-12)21-17(26)19-11-6-3-4-7-11/h11H,2-10H2,1H3,(H2,19,20,21,26).

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

1-cyclopentyl-3-[5-(4-propylthiadiazole-5-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea has a molecular weight of 420.56 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopentyl-3-[5-(4-propylthiadiazole-5-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea is sourced from PubChem (CID 90529457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).