3-[5-(2,6-difluorophenoxy)-1,3-thiazol-2-yl]-1-(3-fluorophenyl)-1-methylurea

C17H12F3N3O2S — CID 177198509

IUPAC3-[5-(2,6-difluorophenoxy)-1,3-thiazol-2-yl]-1-(3-fluorophenyl)-1-methylurea
SMILESCN(C(=O)Nc1ncc(Oc2c(F)cccc2F)s1)c1cccc(F)c1
InChIInChI=1S/C17H12F3N3O2S/c1-23(11-5-2-4-10(18)8-11)17(24)22-16-21-9-14(26-16)25-15-12(19)6-3-7-13(15)20/h2-9H,1H3,(H,21,22,24)
InChIKeyZBOCFGNURMEVCG-UHFFFAOYSA-N
MW379.36 g/mol
LogP5.02
Rot. Bonds4

About 3-[5-(2,6-difluorophenoxy)-1,3-thiazol-2-yl]-1-(3-fluorophenyl)-1-methylurea

3-[5-(2,6-difluorophenoxy)-1,3-thiazol-2-yl]-1-(3-fluorophenyl)-1-methylurea (PubChem CID 177198509) has the molecular formula C17H12F3N3O2S and a molecular weight of 379.36 g/mol. Its IUPAC name is 3-[5-(2,6-difluorophenoxy)-1,3-thiazol-2-yl]-1-(3-fluorophenyl)-1-methylurea.

Molecular Properties

Compound Name3-[5-(2,6-difluorophenoxy)-1,3-thiazol-2-yl]-1-(3-fluorophenyl)-1-methylurea
PubChem CID177198509
Molecular FormulaC17H12F3N3O2S
Molecular Weight379.36 g/mol
Exact Mass379.06
IUPAC Name3-[5-(2,6-difluorophenoxy)-1,3-thiazol-2-yl]-1-(3-fluorophenyl)-1-methylurea
SMILESCN(C(=O)Nc1ncc(Oc2c(F)cccc2F)s1)c1cccc(F)c1
InChIInChI=1S/C17H12F3N3O2S/c1-23(11-5-2-4-10(18)8-11)17(24)22-16-21-9-14(26-16)25-15-12(19)6-3-7-13(15)20/h2-9H,1H3,(H,21,22,24)
InChIKeyZBOCFGNURMEVCG-UHFFFAOYSA-N
XLogP5.02
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.36
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-aminosulfanylphenyl)-3-[5-(3-fluorophenoxy)-1,3-thiazol-2-yl]-1-methylurea
CID 177198734
3-[5-(3,5-difluorophenoxy)-1,3-thiazol-2-yl]-1-methyl-1-(3-methylsulfinamoylphenyl)urea
CID 177198500
1-(2-fluoro-3-methylphenyl)-3-[5-(3-fluorophenoxy)-1,3-thiazol-2-yl]-1-methylurea
CID 177198457
3-[5-(3-fluorophenoxy)-1,3-thiazol-2-yl]-1-methyl-1-(1,3-oxazol-2-yl)urea
CID 177198519
3-[5-(3-fluorophenoxy)-1,3-thiazol-2-yl]-1-methyl-1-(3-morpholin-4-ylsulfinylphenyl)urea
CID 177198756
3-[3-(2-fluorophenoxy)-1,2,4-thiadiazol-5-yl]-1-(3-fluorophenyl)-1-methylurea
CID 177198360
1-(1,3-benzoxazol-2-yl)-3-[5-(3-fluorophenoxy)-1,3-thiazol-2-yl]-1-methylurea
CID 177198573
1-[3-(dimethylaminosulfanyl)phenyl]-1-methyl-3-[5-(3-methylphenoxy)-1,3-thiazol-2-yl]urea
CID 177198311
1-(cyclopropylmethyl)-3-[5-(3-fluorophenoxy)-1,3-thiazol-2-yl]-1-(3-fluorophenyl)urea
CID 177198716
3-[5-(3-chlorophenoxy)-1,3-thiazol-2-yl]-1-methyl-1-(3-nitrophenyl)urea
CID 177198430
3-[5-(3-chlorophenoxy)-1,3-thiazol-2-yl]-1-(4-methoxyphenyl)-1-methylurea
CID 177198373
1-[4-(dimethylamino)phenyl]-3-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-methylurea
CID 177198527

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,6-difluorophenoxy)-1,3-thiazol-2-yl]-1-(3-fluorophenyl)-1-methylurea?
The IUPAC name of 3-[5-(2,6-difluorophenoxy)-1,3-thiazol-2-yl]-1-(3-fluorophenyl)-1-methylurea (CID 177198509) is 3-[5-(2,6-difluorophenoxy)-1,3-thiazol-2-yl]-1-(3-fluorophenyl)-1-methylurea.
What is the SMILES notation for 3-[5-(2,6-difluorophenoxy)-1,3-thiazol-2-yl]-1-(3-fluorophenyl)-1-methylurea?
The canonical SMILES for 3-[5-(2,6-difluorophenoxy)-1,3-thiazol-2-yl]-1-(3-fluorophenyl)-1-methylurea is CN(C(=O)Nc1ncc(Oc2c(F)cccc2F)s1)c1cccc(F)c1.
What is the InChIKey of 3-[5-(2,6-difluorophenoxy)-1,3-thiazol-2-yl]-1-(3-fluorophenyl)-1-methylurea?
The InChIKey is ZBOCFGNURMEVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O2S/c1-23(11-5-2-4-10(18)8-11)17(24)22-16-21-9-14(26-16)25-15-12(19)6-3-7-13(15)20/h2-9H,1H3,(H,21,22,24).
What are the key properties of 3-[5-(2,6-difluorophenoxy)-1,3-thiazol-2-yl]-1-(3-fluorophenyl)-1-methylurea?
3-[5-(2,6-difluorophenoxy)-1,3-thiazol-2-yl]-1-(3-fluorophenyl)-1-methylurea has a molecular weight of 379.36 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,6-difluorophenoxy)-1,3-thiazol-2-yl]-1-(3-fluorophenyl)-1-methylurea is sourced from PubChem (CID 177198509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).