1-phenyl-3-[4-[4-(1,3-thiazol-2-yl)phenoxy]phenyl]urea

C22H17N3O2S — CID 46703910

IUPAC1-phenyl-3-[4-[4-(1,3-thiazol-2-yl)phenoxy]phenyl]urea
SMILESO=C(Nc1ccccc1)Nc1ccc(Oc2ccc(-c3nccs3)cc2)cc1
InChIInChI=1S/C22H17N3O2S/c26-22(24-17-4-2-1-3-5-17)25-18-8-12-20(13-9-18)27-19-10-6-16(7-11-19)21-23-14-15-28-21/h1-15H,(H2,24,25,26)
InChIKeyMXYJCLRTQAJPJR-UHFFFAOYSA-N
MW387.46 g/mol
LogP6.25
Rot. Bonds5

About 1-phenyl-3-[4-[4-(1,3-thiazol-2-yl)phenoxy]phenyl]urea

1-phenyl-3-[4-[4-(1,3-thiazol-2-yl)phenoxy]phenyl]urea (PubChem CID 46703910) has the molecular formula C22H17N3O2S and a molecular weight of 387.46 g/mol. Its IUPAC name is 1-phenyl-3-[4-[4-(1,3-thiazol-2-yl)phenoxy]phenyl]urea.

Molecular Properties

Compound Name1-phenyl-3-[4-[4-(1,3-thiazol-2-yl)phenoxy]phenyl]urea
PubChem CID46703910
Molecular FormulaC22H17N3O2S
Molecular Weight387.46 g/mol
Exact Mass387.10
IUPAC Name1-phenyl-3-[4-[4-(1,3-thiazol-2-yl)phenoxy]phenyl]urea
SMILESO=C(Nc1ccccc1)Nc1ccc(Oc2ccc(-c3nccs3)cc2)cc1
InChIInChI=1S/C22H17N3O2S/c26-22(24-17-4-2-1-3-5-17)25-18-8-12-20(13-9-18)27-19-10-6-16(7-11-19)21-23-14-15-28-21/h1-15H,(H2,24,25,26)
InChIKeyMXYJCLRTQAJPJR-UHFFFAOYSA-N
XLogP6.25
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.46
LogP ≤ 56.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-Cyclopropyl-1-[3-(1,3-Thiazol-2-Yl)benzyl]-3-[4-(Trifluoromethoxy)phenyl]urea
CID 74627728
5-Methyl-3-[[3-[[(methylamino)carbonyl]-[[4-(tetradecyloxy)phenyl]methyl]amino]phenyl]methyl]thiazolium bromide
CID 10032126
1-Propan-2-yl-1-[3-(1,3-thiazol-2-yl)benzyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 90014603
N-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine
CID 146293558
(E)-N-(2-aminophenyl)-3-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]prop-2-enamide
CID 166627826
5-Methyl-3-[[3-[[[[4-(tetradecyloxy)phenyl]amino]carbonyl]amino]phenyl]methyl]thiazolium bromide
CID 10461483
1-[4-Chloro-3-(trifluoromethyl)phenyl]-3-[4-[4-(1,3-thiazol-2-yl)phenoxy]phenyl]urea
CID 46703757
1-(4-Chloro-3-nitrophenyl)-3-[4-[4-(1,3-thiazol-2-yl)phenoxy]phenyl]urea
CID 46703911
1-[4-[4-(1,3-Thiazol-2-yl)phenoxy]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 46703912
1-[4-Fluoro-3-(trifluoromethyl)phenyl]-3-[4-[4-(1,3-thiazol-2-yl)phenoxy]phenyl]urea
CID 46703913
1-[2-Chloro-5-(trifluoromethyl)phenyl]-3-[4-[4-(1,3-thiazol-2-yl)phenoxy]phenyl]urea
CID 46703915
1-[3-Bromo-5-(trifluoromethyl)phenyl]-3-[4-[4-(1,3-thiazol-2-yl)phenoxy]phenyl]urea
CID 46704065

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[4-[4-(1,3-thiazol-2-yl)phenoxy]phenyl]urea?
The IUPAC name of 1-phenyl-3-[4-[4-(1,3-thiazol-2-yl)phenoxy]phenyl]urea (CID 46703910) is 1-phenyl-3-[4-[4-(1,3-thiazol-2-yl)phenoxy]phenyl]urea.
What is the SMILES notation for 1-phenyl-3-[4-[4-(1,3-thiazol-2-yl)phenoxy]phenyl]urea?
The canonical SMILES for 1-phenyl-3-[4-[4-(1,3-thiazol-2-yl)phenoxy]phenyl]urea is O=C(Nc1ccccc1)Nc1ccc(Oc2ccc(-c3nccs3)cc2)cc1.
What is the InChIKey of 1-phenyl-3-[4-[4-(1,3-thiazol-2-yl)phenoxy]phenyl]urea?
The InChIKey is MXYJCLRTQAJPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2S/c26-22(24-17-4-2-1-3-5-17)25-18-8-12-20(13-9-18)27-19-10-6-16(7-11-19)21-23-14-15-28-21/h1-15H,(H2,24,25,26).
What are the key properties of 1-phenyl-3-[4-[4-(1,3-thiazol-2-yl)phenoxy]phenyl]urea?
1-phenyl-3-[4-[4-(1,3-thiazol-2-yl)phenoxy]phenyl]urea has a molecular weight of 387.46 g/mol, XLogP of 6.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[4-[4-(1,3-thiazol-2-yl)phenoxy]phenyl]urea is sourced from PubChem (CID 46703910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).