1-[6-(2,4-difluorophenoxy)-3-pyridinyl]-3-(4-methylsulfanylphenyl)urea

C19H15F2N3O2S — CID 42878489

IUPAC1-[6-(2,4-difluorophenoxy)-3-pyridinyl]-3-(4-methylsulfanylphenyl)urea
SMILESCSc1ccc(NC(=O)Nc2ccc(Oc3ccc(F)cc3F)nc2)cc1
InChIInChI=1S/C19H15F2N3O2S/c1-27-15-6-3-13(4-7-15)23-19(25)24-14-5-9-18(22-11-14)26-17-8-2-12(20)10-16(17)21/h2-11H,1H3,(H2,23,24,25)
InChIKeyCWSGRHBSSQIZGU-UHFFFAOYSA-N
MW387.41 g/mol
LogP5.52
Rot. Bonds5

About 1-[6-(2,4-difluorophenoxy)-3-pyridinyl]-3-(4-methylsulfanylphenyl)urea

1-[6-(2,4-difluorophenoxy)-3-pyridinyl]-3-(4-methylsulfanylphenyl)urea (PubChem CID 42878489) has the molecular formula C19H15F2N3O2S and a molecular weight of 387.41 g/mol. Its IUPAC name is 1-[6-(2,4-difluorophenoxy)-3-pyridinyl]-3-(4-methylsulfanylphenyl)urea.

Molecular Properties

Compound Name1-[6-(2,4-difluorophenoxy)-3-pyridinyl]-3-(4-methylsulfanylphenyl)urea
PubChem CID42878489
Molecular FormulaC19H15F2N3O2S
Molecular Weight387.41 g/mol
Exact Mass387.09
IUPAC Name1-[6-(2,4-difluorophenoxy)-3-pyridinyl]-3-(4-methylsulfanylphenyl)urea
SMILESCSc1ccc(NC(=O)Nc2ccc(Oc3ccc(F)cc3F)nc2)cc1
InChIInChI=1S/C19H15F2N3O2S/c1-27-15-6-3-13(4-7-15)23-19(25)24-14-5-9-18(22-11-14)26-17-8-2-12(20)10-16(17)21/h2-11H,1H3,(H2,23,24,25)
InChIKeyCWSGRHBSSQIZGU-UHFFFAOYSA-N
XLogP5.52
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.41
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-(2-methoxyphenoxy)-3-pyridinyl]-3-(4-methylsulfanylphenyl)urea
CID 42878494
1-[6-(2-fluorophenoxy)-3-pyridinyl]-3-propan-2-ylurea
CID 42878509
2-(2-chloro-6-fluorophenyl)-N-[6-(2,4-difluorophenoxy)-3-pyridinyl]acetamide
CID 154872994
N-[2-(2,4-difluorophenoxy)-5-methyl-4-pyridinyl]acetamide
CID 59834294
1-[6-(4-tert-butylphenoxy)-3-pyridinyl]-3-(4-fluorophenyl)urea
CID 2814280
1-(3,4-dimethoxyphenyl)-3-(4-methylsulfanylphenyl)urea
CID 23764462
N-[6-(2,4-difluorophenoxy)-3-pyridinyl]-1-piperidin-3-ylpyrazole-4-carboxamide
CID 167947861
N-[[6-(2,4-difluorophenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62297251
2,5-difluoro-N-(4-methylsulfanylphenyl)benzamide
CID 42370376
1-(4-methylsulfanylphenyl)-3-pyridin-3-ylurea
CID 15549386
1-(5-bromo-2-pyridinyl)-3-(4-methylsulfanylphenyl)urea
CID 4525205
2-fluoro-N-[6-[2-fluoro-4-(methylamino)phenoxy]-3-pyridinyl]-4-(trifluoromethyl)benzamide;hydrochloride
CID 56952843

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2,4-difluorophenoxy)-3-pyridinyl]-3-(4-methylsulfanylphenyl)urea?
The IUPAC name of 1-[6-(2,4-difluorophenoxy)-3-pyridinyl]-3-(4-methylsulfanylphenyl)urea (CID 42878489) is 1-[6-(2,4-difluorophenoxy)-3-pyridinyl]-3-(4-methylsulfanylphenyl)urea.
What is the SMILES notation for 1-[6-(2,4-difluorophenoxy)-3-pyridinyl]-3-(4-methylsulfanylphenyl)urea?
The canonical SMILES for 1-[6-(2,4-difluorophenoxy)-3-pyridinyl]-3-(4-methylsulfanylphenyl)urea is CSc1ccc(NC(=O)Nc2ccc(Oc3ccc(F)cc3F)nc2)cc1.
What is the InChIKey of 1-[6-(2,4-difluorophenoxy)-3-pyridinyl]-3-(4-methylsulfanylphenyl)urea?
The InChIKey is CWSGRHBSSQIZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N3O2S/c1-27-15-6-3-13(4-7-15)23-19(25)24-14-5-9-18(22-11-14)26-17-8-2-12(20)10-16(17)21/h2-11H,1H3,(H2,23,24,25).
What are the key properties of 1-[6-(2,4-difluorophenoxy)-3-pyridinyl]-3-(4-methylsulfanylphenyl)urea?
1-[6-(2,4-difluorophenoxy)-3-pyridinyl]-3-(4-methylsulfanylphenyl)urea has a molecular weight of 387.41 g/mol, XLogP of 5.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2,4-difluorophenoxy)-3-pyridinyl]-3-(4-methylsulfanylphenyl)urea is sourced from PubChem (CID 42878489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).