1-(2-ethoxy-4-fluorophenyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea

C14H16FN3O2S — CID 86842121

IUPAC1-(2-ethoxy-4-fluorophenyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
SMILESCCOc1cc(F)ccc1NC(=O)NCc1cnc(C)s1
InChIInChI=1S/C14H16FN3O2S/c1-3-20-13-6-10(15)4-5-12(13)18-14(19)17-8-11-7-16-9(2)21-11/h4-7H,3,8H2,1-2H3,(H2,17,18,19)
InChIKeyUFYLACKRXKISBV-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.31
Rot. Bonds5

About 1-(2-ethoxy-4-fluorophenyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea

1-(2-ethoxy-4-fluorophenyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea (PubChem CID 86842121) has the molecular formula C14H16FN3O2S and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-(2-ethoxy-4-fluorophenyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-(2-ethoxy-4-fluorophenyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
PubChem CID86842121
Molecular FormulaC14H16FN3O2S
Molecular Weight309.37 g/mol
Exact Mass309.09
IUPAC Name1-(2-ethoxy-4-fluorophenyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
SMILESCCOc1cc(F)ccc1NC(=O)NCc1cnc(C)s1
InChIInChI=1S/C14H16FN3O2S/c1-3-20-13-6-10(15)4-5-12(13)18-14(19)17-8-11-7-16-9(2)21-11/h4-7H,3,8H2,1-2H3,(H2,17,18,19)
InChIKeyUFYLACKRXKISBV-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-4-fluorophenyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea?
The IUPAC name of 1-(2-ethoxy-4-fluorophenyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea (CID 86842121) is 1-(2-ethoxy-4-fluorophenyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea.
What is the SMILES notation for 1-(2-ethoxy-4-fluorophenyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea?
The canonical SMILES for 1-(2-ethoxy-4-fluorophenyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea is CCOc1cc(F)ccc1NC(=O)NCc1cnc(C)s1.
What is the InChIKey of 1-(2-ethoxy-4-fluorophenyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea?
The InChIKey is UFYLACKRXKISBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2S/c1-3-20-13-6-10(15)4-5-12(13)18-14(19)17-8-11-7-16-9(2)21-11/h4-7H,3,8H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-(2-ethoxy-4-fluorophenyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea?
1-(2-ethoxy-4-fluorophenyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea has a molecular weight of 309.37 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-4-fluorophenyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea is sourced from PubChem (CID 86842121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).