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

C20H23FN4O2S2 — CID 71788156

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

1-cyclopentyl-3-[5-[2-(4-fluorophenyl)sulfanylacetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea (PubChem CID 71788156) has the molecular formula C20H23FN4O2S2 and a molecular weight of 434.56 g/mol. Its IUPAC name is 1-cyclopentyl-3-[5-[2-(4-fluorophenyl)sulfanylacetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea.

Molecular Properties

• Compound Name: 1-cyclopentyl-3-[5-[2-(4-fluorophenyl)sulfanylacetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea
• PubChem CID: 71788156
• Molecular Formula: C20H23FN4O2S2
• Molecular Weight: 434.56 g/mol
• Exact Mass: 434.12
• IUPAC Name: 1-cyclopentyl-3-[5-[2-(4-fluorophenyl)sulfanylacetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea
• SMILES: O=C(Nc1nc2c(s1)CN(C(=O)CSc1ccc(F)cc1)CC2)NC1CCCC1
• InChI: InChI=1S/C20H23FN4O2S2/c21-13-5-7-15(8-6-13)28-12-18(26)25-10-9-16-17(11-25)29-20(23-16)24-19(27)22-14-3-1-2-4-14/h5-8,14H,1-4,9-12H2,(H2,22,23,24,27)
• InChIKey: WBEKQKNMSSZAJX-UHFFFAOYSA-N
• XLogP: 4.02
• TPSA: 74.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.56
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-cyclopentyl-3-[5-[2-(4-fluorophenyl)sulfanylacetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea (CID 71788156) is 1-cyclopentyl-3-[5-[2-(4-fluorophenyl)sulfanylacetyl]-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-(4-fluorophenyl)sulfanylacetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea?

The canonical SMILES for 1-cyclopentyl-3-[5-[2-(4-fluorophenyl)sulfanylacetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea is O=C(Nc1nc2c(s1)CN(C(=O)CSc1ccc(F)cc1)CC2)NC1CCCC1.

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

The InChIKey is WBEKQKNMSSZAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O2S2/c21-13-5-7-15(8-6-13)28-12-18(26)25-10-9-16-17(11-25)29-20(23-16)24-19(27)22-14-3-1-2-4-14/h5-8,14H,1-4,9-12H2,(H2,22,23,24,27).

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

1-cyclopentyl-3-[5-[2-(4-fluorophenyl)sulfanylacetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea has a molecular weight of 434.56 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopentyl-3-[5-[2-(4-fluorophenyl)sulfanylacetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea is sourced from PubChem (CID 71788156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).