1-(3,3-diphenylpropyl)-3-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-1-(2-morpholin-4-ylethyl)urea;dihydrochloride

C30H36Cl2N4O3S — CID 11955289

About 1-(3,3-diphenylpropyl)-3-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-1-(2-morpholin-4-ylethyl)urea;dihydrochloride

1-(3,3-diphenylpropyl)-3-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-1-(2-morpholin-4-ylethyl)urea;dihydrochloride (PubChem CID 11955289) has the molecular formula C30H36Cl2N4O3S and a molecular weight of 603.62 g/mol. Its IUPAC name is 1-(3,3-diphenylpropyl)-3-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-1-(2-morpholin-4-ylethyl)urea;dihydrochloride.

Molecular Properties

• Compound Name: 1-(3,3-diphenylpropyl)-3-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-1-(2-morpholin-4-ylethyl)urea;dihydrochloride
• PubChem CID: 11955289
• Molecular Formula: C30H36Cl2N4O3S
• Molecular Weight: 603.62 g/mol
• Exact Mass: 602.19
• IUPAC Name: 1-(3,3-diphenylpropyl)-3-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-1-(2-morpholin-4-ylethyl)urea;dihydrochloride
• SMILES: Cc1ccc(-c2csc(NC(=O)N(CCC(c3ccccc3)c3ccccc3)CCN3CCOCC3)n2)o1.Cl.Cl
• InChI: InChI=1S/C30H34N4O3S.2ClH/c1-23-12-13-28(37-23)27-22-38-29(31-27)32-30(35)34(17-16-33-18-20-36-21-19-33)15-14-26(24-8-4-2-5-9-24)25-10-6-3-7-11-25;;/h2-13,22,26H,14-21H2,1H3,(H,31,32,35);2*1H
• InChIKey: LTXKWNIYQOFGOM-UHFFFAOYSA-N
• XLogP: 6.94
• TPSA: 70.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	603.62
LogP ≤ 5	6.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-diphenylpropyl)-3-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-1-(2-morpholin-4-ylethyl)urea;dihydrochloride?

The IUPAC name of 1-(3,3-diphenylpropyl)-3-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-1-(2-morpholin-4-ylethyl)urea;dihydrochloride (CID 11955289) is 1-(3,3-diphenylpropyl)-3-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-1-(2-morpholin-4-ylethyl)urea;dihydrochloride.

What is the SMILES notation for 1-(3,3-diphenylpropyl)-3-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-1-(2-morpholin-4-ylethyl)urea;dihydrochloride?

The canonical SMILES for 1-(3,3-diphenylpropyl)-3-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-1-(2-morpholin-4-ylethyl)urea;dihydrochloride is Cc1ccc(-c2csc(NC(=O)N(CCC(c3ccccc3)c3ccccc3)CCN3CCOCC3)n2)o1.Cl.Cl.

What is the InChIKey of 1-(3,3-diphenylpropyl)-3-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-1-(2-morpholin-4-ylethyl)urea;dihydrochloride?

The InChIKey is LTXKWNIYQOFGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O3S.2ClH/c1-23-12-13-28(37-23)27-22-38-29(31-27)32-30(35)34(17-16-33-18-20-36-21-19-33)15-14-26(24-8-4-2-5-9-24)25-10-6-3-7-11-25;;/h2-13,22,26H,14-21H2,1H3,(H,31,32,35);2*1H.

What are the key properties of 1-(3,3-diphenylpropyl)-3-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-1-(2-morpholin-4-ylethyl)urea;dihydrochloride?

1-(3,3-diphenylpropyl)-3-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-1-(2-morpholin-4-ylethyl)urea;dihydrochloride has a molecular weight of 603.62 g/mol, XLogP of 6.94, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3,3-diphenylpropyl)-3-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-1-(2-morpholin-4-ylethyl)urea;dihydrochloride is sourced from PubChem (CID 11955289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).