1-(5-chloro-1,3-thiazol-2-yl)-3-[2-(cyclopentanecarbonyl)-4-morpholin-4-ylphenyl]urea

C20H23ClN4O3S — CID 87230188

About 1-(5-chloro-1,3-thiazol-2-yl)-3-[2-(cyclopentanecarbonyl)-4-morpholin-4-ylphenyl]urea

1-(5-chloro-1,3-thiazol-2-yl)-3-[2-(cyclopentanecarbonyl)-4-morpholin-4-ylphenyl]urea (PubChem CID 87230188) has the molecular formula C20H23ClN4O3S and a molecular weight of 434.95 g/mol. Its IUPAC name is 1-(5-chloro-1,3-thiazol-2-yl)-3-[2-(cyclopentanecarbonyl)-4-morpholin-4-ylphenyl]urea.

Molecular Properties

• Compound Name: 1-(5-chloro-1,3-thiazol-2-yl)-3-[2-(cyclopentanecarbonyl)-4-morpholin-4-ylphenyl]urea
• PubChem CID: 87230188
• Molecular Formula: C20H23ClN4O3S
• Molecular Weight: 434.95 g/mol
• Exact Mass: 434.12
• IUPAC Name: 1-(5-chloro-1,3-thiazol-2-yl)-3-[2-(cyclopentanecarbonyl)-4-morpholin-4-ylphenyl]urea
• SMILES: O=C(Nc1ncc(Cl)s1)Nc1ccc(N2CCOCC2)cc1C(=O)C1CCCC1
• InChI: InChI=1S/C20H23ClN4O3S/c21-17-12-22-20(29-17)24-19(27)23-16-6-5-14(25-7-9-28-10-8-25)11-15(16)18(26)13-3-1-2-4-13/h5-6,11-13H,1-4,7-10H2,(H2,22,23,24,27)
• InChIKey: HGBMHEJLTRNPAE-UHFFFAOYSA-N
• XLogP: 4.65
• TPSA: 83.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.95
LogP ≤ 5	4.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1,3-thiazol-2-yl)-3-[2-(cyclopentanecarbonyl)-4-morpholin-4-ylphenyl]urea?

The IUPAC name of 1-(5-chloro-1,3-thiazol-2-yl)-3-[2-(cyclopentanecarbonyl)-4-morpholin-4-ylphenyl]urea (CID 87230188) is 1-(5-chloro-1,3-thiazol-2-yl)-3-[2-(cyclopentanecarbonyl)-4-morpholin-4-ylphenyl]urea.

What is the SMILES notation for 1-(5-chloro-1,3-thiazol-2-yl)-3-[2-(cyclopentanecarbonyl)-4-morpholin-4-ylphenyl]urea?

The canonical SMILES for 1-(5-chloro-1,3-thiazol-2-yl)-3-[2-(cyclopentanecarbonyl)-4-morpholin-4-ylphenyl]urea is O=C(Nc1ncc(Cl)s1)Nc1ccc(N2CCOCC2)cc1C(=O)C1CCCC1.

What is the InChIKey of 1-(5-chloro-1,3-thiazol-2-yl)-3-[2-(cyclopentanecarbonyl)-4-morpholin-4-ylphenyl]urea?

The InChIKey is HGBMHEJLTRNPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O3S/c21-17-12-22-20(29-17)24-19(27)23-16-6-5-14(25-7-9-28-10-8-25)11-15(16)18(26)13-3-1-2-4-13/h5-6,11-13H,1-4,7-10H2,(H2,22,23,24,27).

What are the key properties of 1-(5-chloro-1,3-thiazol-2-yl)-3-[2-(cyclopentanecarbonyl)-4-morpholin-4-ylphenyl]urea?

1-(5-chloro-1,3-thiazol-2-yl)-3-[2-(cyclopentanecarbonyl)-4-morpholin-4-ylphenyl]urea has a molecular weight of 434.95 g/mol, XLogP of 4.65, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-chloro-1,3-thiazol-2-yl)-3-[2-(cyclopentanecarbonyl)-4-morpholin-4-ylphenyl]urea is sourced from PubChem (CID 87230188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).