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

C22H16FN3OS — CID 122286299

IUPAC1-(3-fluorophenyl)-3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
SMILESO=C(Nc1ccc(-c2csc(-c3ccccc3)n2)cc1)Nc1cccc(F)c1
InChIInChI=1S/C22H16FN3OS/c23-17-7-4-8-19(13-17)25-22(27)24-18-11-9-15(10-12-18)20-14-28-21(26-20)16-5-2-1-3-6-16/h1-14H,(H2,24,25,27)
InChIKeyGALBDWXQNUEANM-UHFFFAOYSA-N
MW389.46 g/mol
LogP6.26
Rot. Bonds4

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

1-(3-fluorophenyl)-3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea (PubChem CID 122286299) has the molecular formula C22H16FN3OS and a molecular weight of 389.46 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
PubChem CID122286299
Molecular FormulaC22H16FN3OS
Molecular Weight389.46 g/mol
Exact Mass389.10
IUPAC Name1-(3-fluorophenyl)-3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
SMILESO=C(Nc1ccc(-c2csc(-c3ccccc3)n2)cc1)Nc1cccc(F)c1
InChIInChI=1S/C22H16FN3OS/c23-17-7-4-8-19(13-17)25-22(27)24-18-11-9-15(10-12-18)20-14-28-21(26-20)16-5-2-1-3-6-16/h1-14H,(H2,24,25,27)
InChIKeyGALBDWXQNUEANM-UHFFFAOYSA-N
XLogP6.26
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.46
LogP ≤ 56.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-difluorophenyl)-3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 122286296
1-(3,4-difluorophenyl)-3-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 122286135
1-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3-phenylurea
CID 108784173
1-(4-chlorophenyl)-3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 108780501
1-(4-tert-butylphenyl)-3-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 121086466
1-(3-chloro-4-methylphenyl)-3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 122286290
1-[3,5-bis(trifluoromethyl)phenyl]-3-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 122286137
1-(2-chlorophenyl)-3-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 121086468
2-(2,4-difluorophenyl)-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 122286179
1-phenyl-3-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]urea
CID 4274968
(2S)-3-phenyl-2-[[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]carbamoylamino]propanoic acid
CID 58874688
N-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 31263128

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea?
The IUPAC name of 1-(3-fluorophenyl)-3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea (CID 122286299) is 1-(3-fluorophenyl)-3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea.
What is the SMILES notation for 1-(3-fluorophenyl)-3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea?
The canonical SMILES for 1-(3-fluorophenyl)-3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea is O=C(Nc1ccc(-c2csc(-c3ccccc3)n2)cc1)Nc1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea?
The InChIKey is GALBDWXQNUEANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3OS/c23-17-7-4-8-19(13-17)25-22(27)24-18-11-9-15(10-12-18)20-14-28-21(26-20)16-5-2-1-3-6-16/h1-14H,(H2,24,25,27).
What are the key properties of 1-(3-fluorophenyl)-3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea?
1-(3-fluorophenyl)-3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea has a molecular weight of 389.46 g/mol, XLogP of 6.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea is sourced from PubChem (CID 122286299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).