1-(2-fluoro-3-methylphenyl)-3-[5-(3-fluorophenoxy)-1,3-thiazol-2-yl]-1-methylurea

C18H15F2N3O2S — CID 177198457

IUPAC1-(2-fluoro-3-methylphenyl)-3-[5-(3-fluorophenoxy)-1,3-thiazol-2-yl]-1-methylurea
SMILESCc1cccc(N(C)C(=O)Nc2ncc(Oc3cccc(F)c3)s2)c1F
InChIInChI=1S/C18H15F2N3O2S/c1-11-5-3-8-14(16(11)20)23(2)18(24)22-17-21-10-15(26-17)25-13-7-4-6-12(19)9-13/h3-10H,1-2H3,(H,21,22,24)
InChIKeyDYTSUKGGXHLRRJ-UHFFFAOYSA-N
MW375.40 g/mol
LogP5.19
Rot. Bonds4

About 1-(2-fluoro-3-methylphenyl)-3-[5-(3-fluorophenoxy)-1,3-thiazol-2-yl]-1-methylurea

1-(2-fluoro-3-methylphenyl)-3-[5-(3-fluorophenoxy)-1,3-thiazol-2-yl]-1-methylurea (PubChem CID 177198457) has the molecular formula C18H15F2N3O2S and a molecular weight of 375.40 g/mol. Its IUPAC name is 1-(2-fluoro-3-methylphenyl)-3-[5-(3-fluorophenoxy)-1,3-thiazol-2-yl]-1-methylurea.

Molecular Properties

Compound Name1-(2-fluoro-3-methylphenyl)-3-[5-(3-fluorophenoxy)-1,3-thiazol-2-yl]-1-methylurea
PubChem CID177198457
Molecular FormulaC18H15F2N3O2S
Molecular Weight375.40 g/mol
Exact Mass375.09
IUPAC Name1-(2-fluoro-3-methylphenyl)-3-[5-(3-fluorophenoxy)-1,3-thiazol-2-yl]-1-methylurea
SMILESCc1cccc(N(C)C(=O)Nc2ncc(Oc3cccc(F)c3)s2)c1F
InChIInChI=1S/C18H15F2N3O2S/c1-11-5-3-8-14(16(11)20)23(2)18(24)22-17-21-10-15(26-17)25-13-7-4-6-12(19)9-13/h3-10H,1-2H3,(H,21,22,24)
InChIKeyDYTSUKGGXHLRRJ-UHFFFAOYSA-N
XLogP5.19
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.40
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methylphenyl)-3-[5-(3-fluorophenoxy)-1,3-thiazol-2-yl]-1-methylurea?
The IUPAC name of 1-(2-fluoro-3-methylphenyl)-3-[5-(3-fluorophenoxy)-1,3-thiazol-2-yl]-1-methylurea (CID 177198457) is 1-(2-fluoro-3-methylphenyl)-3-[5-(3-fluorophenoxy)-1,3-thiazol-2-yl]-1-methylurea.
What is the SMILES notation for 1-(2-fluoro-3-methylphenyl)-3-[5-(3-fluorophenoxy)-1,3-thiazol-2-yl]-1-methylurea?
The canonical SMILES for 1-(2-fluoro-3-methylphenyl)-3-[5-(3-fluorophenoxy)-1,3-thiazol-2-yl]-1-methylurea is Cc1cccc(N(C)C(=O)Nc2ncc(Oc3cccc(F)c3)s2)c1F.
What is the InChIKey of 1-(2-fluoro-3-methylphenyl)-3-[5-(3-fluorophenoxy)-1,3-thiazol-2-yl]-1-methylurea?
The InChIKey is DYTSUKGGXHLRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O2S/c1-11-5-3-8-14(16(11)20)23(2)18(24)22-17-21-10-15(26-17)25-13-7-4-6-12(19)9-13/h3-10H,1-2H3,(H,21,22,24).
What are the key properties of 1-(2-fluoro-3-methylphenyl)-3-[5-(3-fluorophenoxy)-1,3-thiazol-2-yl]-1-methylurea?
1-(2-fluoro-3-methylphenyl)-3-[5-(3-fluorophenoxy)-1,3-thiazol-2-yl]-1-methylurea has a molecular weight of 375.40 g/mol, XLogP of 5.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-methylphenyl)-3-[5-(3-fluorophenoxy)-1,3-thiazol-2-yl]-1-methylurea is sourced from PubChem (CID 177198457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).