1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-(1,3-thiazol-2-yl)urea

C25H30N4O2S — CID 59499339

IUPAC1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-(1,3-thiazol-2-yl)urea
SMILESO=C(Nc1nccs1)N(CCC(c1ccccc1)c1ccccc1)CCN1CCOCC1
InChIInChI=1S/C25H30N4O2S/c30-25(27-24-26-12-20-32-24)29(15-14-28-16-18-31-19-17-28)13-11-23(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-10,12,20,23H,11,13-19H2,(H,26,27,30)
InChIKeyVXFDNCZLWBUTPK-UHFFFAOYSA-N
MW450.61 g/mol
LogP4.53
Rot. Bonds9

About 1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-(1,3-thiazol-2-yl)urea

1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-(1,3-thiazol-2-yl)urea (PubChem CID 59499339) has the molecular formula C25H30N4O2S and a molecular weight of 450.61 g/mol. Its IUPAC name is 1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-(1,3-thiazol-2-yl)urea
PubChem CID59499339
Molecular FormulaC25H30N4O2S
Molecular Weight450.61 g/mol
Exact Mass450.21
IUPAC Name1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-(1,3-thiazol-2-yl)urea
SMILESO=C(Nc1nccs1)N(CCC(c1ccccc1)c1ccccc1)CCN1CCOCC1
InChIInChI=1S/C25H30N4O2S/c30-25(27-24-26-12-20-32-24)29(15-14-28-16-18-31-19-17-28)13-11-23(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-10,12,20,23H,11,13-19H2,(H,26,27,30)
InChIKeyVXFDNCZLWBUTPK-UHFFFAOYSA-N
XLogP4.53
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.61
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-(1,3-thiazol-2-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-(1,3-thiazol-2-yl)urea?
The IUPAC name of 1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-(1,3-thiazol-2-yl)urea (CID 59499339) is 1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-(1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-(1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-(1,3-thiazol-2-yl)urea is O=C(Nc1nccs1)N(CCC(c1ccccc1)c1ccccc1)CCN1CCOCC1.
What is the InChIKey of 1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-(1,3-thiazol-2-yl)urea?
The InChIKey is VXFDNCZLWBUTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2S/c30-25(27-24-26-12-20-32-24)29(15-14-28-16-18-31-19-17-28)13-11-23(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-10,12,20,23H,11,13-19H2,(H,26,27,30).
What are the key properties of 1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-(1,3-thiazol-2-yl)urea?
1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-(1,3-thiazol-2-yl)urea has a molecular weight of 450.61 g/mol, XLogP of 4.53, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 59499339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).