1-(2-phenylethyl)-3-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]urea

C24H21N3OS — CID 121080438

IUPAC1-(2-phenylethyl)-3-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]urea
SMILESO=C(NCCc1ccccc1)Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1
InChIInChI=1S/C24H21N3OS/c28-23(25-16-15-18-7-3-1-4-8-18)27-24-26-22(17-29-24)21-13-11-20(12-14-21)19-9-5-2-6-10-19/h1-14,17H,15-16H2,(H2,25,26,27,28)
InChIKeyGDPUNAPQSGIXNT-UHFFFAOYSA-N
MW399.52 g/mol
LogP5.84
Rot. Bonds6

About 1-(2-phenylethyl)-3-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]urea

1-(2-phenylethyl)-3-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]urea (PubChem CID 121080438) has the molecular formula C24H21N3OS and a molecular weight of 399.52 g/mol. Its IUPAC name is 1-(2-phenylethyl)-3-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]urea.

Molecular Properties

Compound Name1-(2-phenylethyl)-3-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]urea
PubChem CID121080438
Molecular FormulaC24H21N3OS
Molecular Weight399.52 g/mol
Exact Mass399.14
IUPAC Name1-(2-phenylethyl)-3-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]urea
SMILESO=C(NCCc1ccccc1)Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1
InChIInChI=1S/C24H21N3OS/c28-23(25-16-15-18-7-3-1-4-8-18)27-24-26-22(17-29-24)21-13-11-20(12-14-21)19-9-5-2-6-10-19/h1-14,17H,15-16H2,(H2,25,26,27,28)
InChIKeyGDPUNAPQSGIXNT-UHFFFAOYSA-N
XLogP5.84
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.52
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-bis(4-phenyl-1,3-thiazol-2-yl)urea
CID 13089293
1-(4-methyl-1,3-thiazol-2-yl)-3-(2-phenylethyl)urea
CID 47194043
3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 840341
1-phenyl-3-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]urea
CID 4274968
[2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 3-phenylpropanoate
CID 23851559
1-benzyl-3-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea
CID 127048003
N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 4061506
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-[(2-phenylacetyl)amino]propanamide
CID 55487125
1-[(4-chlorophenyl)methyl]-3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]urea
CID 121080343
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-phenylbenzamide
CID 3308072
1-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-3-(4-chlorophenyl)urea
CID 121080622
1-[[(4-methylphenyl)sulfonylamino]methyl]-3-(4-phenyl-1,3-thiazol-2-yl)urea
CID 19133974

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethyl)-3-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]urea?
The IUPAC name of 1-(2-phenylethyl)-3-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]urea (CID 121080438) is 1-(2-phenylethyl)-3-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]urea.
What is the SMILES notation for 1-(2-phenylethyl)-3-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]urea?
The canonical SMILES for 1-(2-phenylethyl)-3-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]urea is O=C(NCCc1ccccc1)Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1.
What is the InChIKey of 1-(2-phenylethyl)-3-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]urea?
The InChIKey is GDPUNAPQSGIXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3OS/c28-23(25-16-15-18-7-3-1-4-8-18)27-24-26-22(17-29-24)21-13-11-20(12-14-21)19-9-5-2-6-10-19/h1-14,17H,15-16H2,(H2,25,26,27,28).
What are the key properties of 1-(2-phenylethyl)-3-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]urea?
1-(2-phenylethyl)-3-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]urea has a molecular weight of 399.52 g/mol, XLogP of 5.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)-3-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]urea is sourced from PubChem (CID 121080438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).