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

C31H34N4O2S — CID 71579791

IUPAC1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-[3-(1,3-thiazol-2-yl)phenyl]urea
SMILESO=C(Nc1cccc(-c2nccs2)c1)N(CCC(c1ccccc1)c1ccccc1)CCN1CCOCC1
InChIInChI=1S/C31H34N4O2S/c36-31(33-28-13-7-12-27(24-28)30-32-15-23-38-30)35(18-17-34-19-21-37-22-20-34)16-14-29(25-8-3-1-4-9-25)26-10-5-2-6-11-26/h1-13,15,23-24,29H,14,16-22H2,(H,33,36)
InChIKeyGKMRQEBIZLWROE-UHFFFAOYSA-N
MW526.71 g/mol
LogP6.20
Rot. Bonds10

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

1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-[3-(1,3-thiazol-2-yl)phenyl]urea (PubChem CID 71579791) has the molecular formula C31H34N4O2S and a molecular weight of 526.71 g/mol. Its IUPAC name is 1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-[3-(1,3-thiazol-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-[3-(1,3-thiazol-2-yl)phenyl]urea
PubChem CID71579791
Molecular FormulaC31H34N4O2S
Molecular Weight526.71 g/mol
Exact Mass526.24
IUPAC Name1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-[3-(1,3-thiazol-2-yl)phenyl]urea
SMILESO=C(Nc1cccc(-c2nccs2)c1)N(CCC(c1ccccc1)c1ccccc1)CCN1CCOCC1
InChIInChI=1S/C31H34N4O2S/c36-31(33-28-13-7-12-27(24-28)30-32-15-23-38-30)35(18-17-34-19-21-37-22-20-34)16-14-29(25-8-3-1-4-9-25)26-10-5-2-6-11-26/h1-13,15,23-24,29H,14,16-22H2,(H,33,36)
InChIKeyGKMRQEBIZLWROE-UHFFFAOYSA-N
XLogP6.20
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.71
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(1,3-Benzothiazol-2-yl)phenyl]-1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)urea
CID 16736324
1-(3,3-Diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]urea
CID 58938081
N-(2-hydroxyethyl)-2-[[3-(1,3-thiazol-2-yl)phenyl]carbamoylamino]acetamide
CID 71846822
1-[2-(Morpholin-4-ylmethyl)phenyl]-3-[1-(1,3-thiazol-2-yl)ethyl]urea
CID 72021657
N-{[1-(morpholin-4-ylmethyl)cyclopropyl]methyl}-N'-[3-(1,3-thiazol-4-yl)phenyl]urea
CID 72859271
1-(2-morpholin-4-ylphenyl)-3-[(2S)-2-(1,3-thiazol-2-yl)propyl]urea
CID 97879674
(2S)-N-(1,2,3,4-tetrahydroquinolin-6-yl)-2-(1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 164631238
3-(2,4-Difluorophenyl)-1-hydroxy-1-[3-[2-(2-morpholin-4-ylethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]phenyl]urea
CID 90326741
1-[3-[2-(3-Morpholin-4-ylpropyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 147506609
1-(3-methylphenyl)-3-[1-(2-methylpropyl)-2-oxo-5-(1,3-thiazol-2-yl)-3H-1,4-benzodiazepin-3-yl]urea
CID 44210826
N-[3-(1,3-thiazol-2-yl)phenyl]-4-[3-(2,2,2-trifluoroethoxy)propyl]piperazine-1-carboxamide
CID 56136801
N-[4-(1,3-thiazol-2-yl)phenyl]-4-[3-(2,2,2-trifluoroethoxy)propyl]piperazine-1-carboxamide
CID 56475459

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-[3-(1,3-thiazol-2-yl)phenyl]urea?
The IUPAC name of 1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-[3-(1,3-thiazol-2-yl)phenyl]urea (CID 71579791) is 1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-[3-(1,3-thiazol-2-yl)phenyl]urea.
What is the SMILES notation for 1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-[3-(1,3-thiazol-2-yl)phenyl]urea?
The canonical SMILES for 1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-[3-(1,3-thiazol-2-yl)phenyl]urea is O=C(Nc1cccc(-c2nccs2)c1)N(CCC(c1ccccc1)c1ccccc1)CCN1CCOCC1.
What is the InChIKey of 1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-[3-(1,3-thiazol-2-yl)phenyl]urea?
The InChIKey is GKMRQEBIZLWROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N4O2S/c36-31(33-28-13-7-12-27(24-28)30-32-15-23-38-30)35(18-17-34-19-21-37-22-20-34)16-14-29(25-8-3-1-4-9-25)26-10-5-2-6-11-26/h1-13,15,23-24,29H,14,16-22H2,(H,33,36).
What are the key properties of 1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-[3-(1,3-thiazol-2-yl)phenyl]urea?
1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-[3-(1,3-thiazol-2-yl)phenyl]urea has a molecular weight of 526.71 g/mol, XLogP of 6.20, 10 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-[3-(1,3-thiazol-2-yl)phenyl]urea is sourced from PubChem (CID 71579791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).