1-[2-(2-fluoro-6-methoxyphenoxy)-4-methylphenyl]-3-(1,3-thiazol-2-yl)urea

C18H16FN3O3S — CID 59732805

IUPAC1-[2-(2-fluoro-6-methoxyphenoxy)-4-methylphenyl]-3-(1,3-thiazol-2-yl)urea
SMILESCOc1cccc(F)c1Oc1cc(C)ccc1NC(=O)Nc1nccs1
InChIInChI=1S/C18H16FN3O3S/c1-11-6-7-13(21-17(23)22-18-20-8-9-26-18)15(10-11)25-16-12(19)4-3-5-14(16)24-2/h3-10H,1-2H3,(H2,20,21,22,23)
InChIKeyXBPBWKUMDSHVMU-UHFFFAOYSA-N
MW373.41 g/mol
LogP5.04
Rot. Bonds5

About 1-[2-(2-fluoro-6-methoxyphenoxy)-4-methylphenyl]-3-(1,3-thiazol-2-yl)urea

1-[2-(2-fluoro-6-methoxyphenoxy)-4-methylphenyl]-3-(1,3-thiazol-2-yl)urea (PubChem CID 59732805) has the molecular formula C18H16FN3O3S and a molecular weight of 373.41 g/mol. Its IUPAC name is 1-[2-(2-fluoro-6-methoxyphenoxy)-4-methylphenyl]-3-(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[2-(2-fluoro-6-methoxyphenoxy)-4-methylphenyl]-3-(1,3-thiazol-2-yl)urea
PubChem CID59732805
Molecular FormulaC18H16FN3O3S
Molecular Weight373.41 g/mol
Exact Mass373.09
IUPAC Name1-[2-(2-fluoro-6-methoxyphenoxy)-4-methylphenyl]-3-(1,3-thiazol-2-yl)urea
SMILESCOc1cccc(F)c1Oc1cc(C)ccc1NC(=O)Nc1nccs1
InChIInChI=1S/C18H16FN3O3S/c1-11-6-7-13(21-17(23)22-18-20-8-9-26-18)15(10-11)25-16-12(19)4-3-5-14(16)24-2/h3-10H,1-2H3,(H2,20,21,22,23)
InChIKeyXBPBWKUMDSHVMU-UHFFFAOYSA-N
XLogP5.04
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.41
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluoro-6-methoxyphenoxy)-4-methylphenyl]-3-(1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[2-(2-fluoro-6-methoxyphenoxy)-4-methylphenyl]-3-(1,3-thiazol-2-yl)urea (CID 59732805) is 1-[2-(2-fluoro-6-methoxyphenoxy)-4-methylphenyl]-3-(1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[2-(2-fluoro-6-methoxyphenoxy)-4-methylphenyl]-3-(1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[2-(2-fluoro-6-methoxyphenoxy)-4-methylphenyl]-3-(1,3-thiazol-2-yl)urea is COc1cccc(F)c1Oc1cc(C)ccc1NC(=O)Nc1nccs1.
What is the InChIKey of 1-[2-(2-fluoro-6-methoxyphenoxy)-4-methylphenyl]-3-(1,3-thiazol-2-yl)urea?
The InChIKey is XBPBWKUMDSHVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3S/c1-11-6-7-13(21-17(23)22-18-20-8-9-26-18)15(10-11)25-16-12(19)4-3-5-14(16)24-2/h3-10H,1-2H3,(H2,20,21,22,23).
What are the key properties of 1-[2-(2-fluoro-6-methoxyphenoxy)-4-methylphenyl]-3-(1,3-thiazol-2-yl)urea?
1-[2-(2-fluoro-6-methoxyphenoxy)-4-methylphenyl]-3-(1,3-thiazol-2-yl)urea has a molecular weight of 373.41 g/mol, XLogP of 5.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluoro-6-methoxyphenoxy)-4-methylphenyl]-3-(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 59732805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).