1-[5-fluoro-4-methyl-2-(2-methylpropoxy)phenyl]-3-(1,3-thiazol-2-yl)urea

C15H18FN3O2S — CID 59732736

IUPAC1-[5-fluoro-4-methyl-2-(2-methylpropoxy)phenyl]-3-(1,3-thiazol-2-yl)urea
SMILESCc1cc(OCC(C)C)c(NC(=O)Nc2nccs2)cc1F
InChIInChI=1S/C15H18FN3O2S/c1-9(2)8-21-13-6-10(3)11(16)7-12(13)18-14(20)19-15-17-4-5-22-15/h4-7,9H,8H2,1-3H3,(H2,17,18,19,20)
InChIKeyIEPMQZIHNSIGLN-UHFFFAOYSA-N
MW323.39 g/mol
LogP4.27
Rot. Bonds5

About 1-[5-fluoro-4-methyl-2-(2-methylpropoxy)phenyl]-3-(1,3-thiazol-2-yl)urea

1-[5-fluoro-4-methyl-2-(2-methylpropoxy)phenyl]-3-(1,3-thiazol-2-yl)urea (PubChem CID 59732736) has the molecular formula C15H18FN3O2S and a molecular weight of 323.39 g/mol. Its IUPAC name is 1-[5-fluoro-4-methyl-2-(2-methylpropoxy)phenyl]-3-(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[5-fluoro-4-methyl-2-(2-methylpropoxy)phenyl]-3-(1,3-thiazol-2-yl)urea
PubChem CID59732736
Molecular FormulaC15H18FN3O2S
Molecular Weight323.39 g/mol
Exact Mass323.11
IUPAC Name1-[5-fluoro-4-methyl-2-(2-methylpropoxy)phenyl]-3-(1,3-thiazol-2-yl)urea
SMILESCc1cc(OCC(C)C)c(NC(=O)Nc2nccs2)cc1F
InChIInChI=1S/C15H18FN3O2S/c1-9(2)8-21-13-6-10(3)11(16)7-12(13)18-14(20)19-15-17-4-5-22-15/h4-7,9H,8H2,1-3H3,(H2,17,18,19,20)
InChIKeyIEPMQZIHNSIGLN-UHFFFAOYSA-N
XLogP4.27
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-4-methyl-2-(2-methylpropoxy)phenyl]-3-(1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[5-fluoro-4-methyl-2-(2-methylpropoxy)phenyl]-3-(1,3-thiazol-2-yl)urea (CID 59732736) is 1-[5-fluoro-4-methyl-2-(2-methylpropoxy)phenyl]-3-(1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[5-fluoro-4-methyl-2-(2-methylpropoxy)phenyl]-3-(1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[5-fluoro-4-methyl-2-(2-methylpropoxy)phenyl]-3-(1,3-thiazol-2-yl)urea is Cc1cc(OCC(C)C)c(NC(=O)Nc2nccs2)cc1F.
What is the InChIKey of 1-[5-fluoro-4-methyl-2-(2-methylpropoxy)phenyl]-3-(1,3-thiazol-2-yl)urea?
The InChIKey is IEPMQZIHNSIGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2S/c1-9(2)8-21-13-6-10(3)11(16)7-12(13)18-14(20)19-15-17-4-5-22-15/h4-7,9H,8H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 1-[5-fluoro-4-methyl-2-(2-methylpropoxy)phenyl]-3-(1,3-thiazol-2-yl)urea?
1-[5-fluoro-4-methyl-2-(2-methylpropoxy)phenyl]-3-(1,3-thiazol-2-yl)urea has a molecular weight of 323.39 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-4-methyl-2-(2-methylpropoxy)phenyl]-3-(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 59732736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).