1-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea

C15H18FN3O2S — CID 71869934

IUPAC1-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
SMILESCOc1cccc(F)c1C(C)NC(=O)NCc1cnc(C)s1
InChIInChI=1S/C15H18FN3O2S/c1-9(14-12(16)5-4-6-13(14)21-3)19-15(20)18-8-11-7-17-10(2)22-11/h4-7,9H,8H2,1-3H3,(H2,18,19,20)
InChIKeySJUNGBGQLJPEIE-UHFFFAOYSA-N
MW323.39 g/mol
LogP3.16
Rot. Bonds5

About 1-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea

1-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea (PubChem CID 71869934) has the molecular formula C15H18FN3O2S and a molecular weight of 323.39 g/mol. Its IUPAC name is 1-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
PubChem CID71869934
Molecular FormulaC15H18FN3O2S
Molecular Weight323.39 g/mol
Exact Mass323.11
IUPAC Name1-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
SMILESCOc1cccc(F)c1C(C)NC(=O)NCc1cnc(C)s1
InChIInChI=1S/C15H18FN3O2S/c1-9(14-12(16)5-4-6-13(14)21-3)19-15(20)18-8-11-7-17-10(2)22-11/h4-7,9H,8H2,1-3H3,(H2,18,19,20)
InChIKeySJUNGBGQLJPEIE-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea?
The IUPAC name of 1-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea (CID 71869934) is 1-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea.
What is the SMILES notation for 1-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea?
The canonical SMILES for 1-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea is COc1cccc(F)c1C(C)NC(=O)NCc1cnc(C)s1.
What is the InChIKey of 1-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea?
The InChIKey is SJUNGBGQLJPEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2S/c1-9(14-12(16)5-4-6-13(14)21-3)19-15(20)18-8-11-7-17-10(2)22-11/h4-7,9H,8H2,1-3H3,(H2,18,19,20).
What are the key properties of 1-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea?
1-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea has a molecular weight of 323.39 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea is sourced from PubChem (CID 71869934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).