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

C14H16FN3O2S — CID 59733029

IUPAC1-[5-fluoro-2-(2-methylpropoxy)phenyl]-3-(1,3-thiazol-2-yl)urea
SMILESCC(C)COc1ccc(F)cc1NC(=O)Nc1nccs1
InChIInChI=1S/C14H16FN3O2S/c1-9(2)8-20-12-4-3-10(15)7-11(12)17-13(19)18-14-16-5-6-21-14/h3-7,9H,8H2,1-2H3,(H2,16,17,18,19)
InChIKeyORHDVDUFTDJASW-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.96
Rot. Bonds5

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

1-[5-fluoro-2-(2-methylpropoxy)phenyl]-3-(1,3-thiazol-2-yl)urea (PubChem CID 59733029) has the molecular formula C14H16FN3O2S and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-[5-fluoro-2-(2-methylpropoxy)phenyl]-3-(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[5-fluoro-2-(2-methylpropoxy)phenyl]-3-(1,3-thiazol-2-yl)urea
PubChem CID59733029
Molecular FormulaC14H16FN3O2S
Molecular Weight309.37 g/mol
Exact Mass309.09
IUPAC Name1-[5-fluoro-2-(2-methylpropoxy)phenyl]-3-(1,3-thiazol-2-yl)urea
SMILESCC(C)COc1ccc(F)cc1NC(=O)Nc1nccs1
InChIInChI=1S/C14H16FN3O2S/c1-9(2)8-20-12-4-3-10(15)7-11(12)17-13(19)18-14-16-5-6-21-14/h3-7,9H,8H2,1-2H3,(H2,16,17,18,19)
InChIKeyORHDVDUFTDJASW-UHFFFAOYSA-N
XLogP3.96
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-(2-methylpropoxy)phenyl]-3-(1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[5-fluoro-2-(2-methylpropoxy)phenyl]-3-(1,3-thiazol-2-yl)urea (CID 59733029) is 1-[5-fluoro-2-(2-methylpropoxy)phenyl]-3-(1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[5-fluoro-2-(2-methylpropoxy)phenyl]-3-(1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[5-fluoro-2-(2-methylpropoxy)phenyl]-3-(1,3-thiazol-2-yl)urea is CC(C)COc1ccc(F)cc1NC(=O)Nc1nccs1.
What is the InChIKey of 1-[5-fluoro-2-(2-methylpropoxy)phenyl]-3-(1,3-thiazol-2-yl)urea?
The InChIKey is ORHDVDUFTDJASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2S/c1-9(2)8-20-12-4-3-10(15)7-11(12)17-13(19)18-14-16-5-6-21-14/h3-7,9H,8H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 1-[5-fluoro-2-(2-methylpropoxy)phenyl]-3-(1,3-thiazol-2-yl)urea?
1-[5-fluoro-2-(2-methylpropoxy)phenyl]-3-(1,3-thiazol-2-yl)urea has a molecular weight of 309.37 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-(2-methylpropoxy)phenyl]-3-(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 59733029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).