1-(4-ethoxyphenyl)-3-(5-methyl-4-phenyl-1,3-thiazol-2-yl)urea

C19H19N3O2S — CID 4684624

IUPAC1-(4-ethoxyphenyl)-3-(5-methyl-4-phenyl-1,3-thiazol-2-yl)urea
SMILESCCOc1ccc(NC(=O)Nc2nc(-c3ccccc3)c(C)s2)cc1
InChIInChI=1S/C19H19N3O2S/c1-3-24-16-11-9-15(10-12-16)20-18(23)22-19-21-17(13(2)25-19)14-7-5-4-6-8-14/h4-12H,3H2,1-2H3,(H2,20,21,22,23)
InChIKeyRQKIDQXMXJEKSZ-UHFFFAOYSA-N
MW353.45 g/mol
LogP5.16
Rot. Bonds5

About 1-(4-ethoxyphenyl)-3-(5-methyl-4-phenyl-1,3-thiazol-2-yl)urea

1-(4-ethoxyphenyl)-3-(5-methyl-4-phenyl-1,3-thiazol-2-yl)urea (PubChem CID 4684624) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-(5-methyl-4-phenyl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-(5-methyl-4-phenyl-1,3-thiazol-2-yl)urea
PubChem CID4684624
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name1-(4-ethoxyphenyl)-3-(5-methyl-4-phenyl-1,3-thiazol-2-yl)urea
SMILESCCOc1ccc(NC(=O)Nc2nc(-c3ccccc3)c(C)s2)cc1
InChIInChI=1S/C19H19N3O2S/c1-3-24-16-11-9-15(10-12-16)20-18(23)22-19-21-17(13(2)25-19)14-7-5-4-6-8-14/h4-12H,3H2,1-2H3,(H2,20,21,22,23)
InChIKeyRQKIDQXMXJEKSZ-UHFFFAOYSA-N
XLogP5.16
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.45
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-(5-methyl-4-phenyl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-(4-ethoxyphenyl)-3-(5-methyl-4-phenyl-1,3-thiazol-2-yl)urea (CID 4684624) is 1-(4-ethoxyphenyl)-3-(5-methyl-4-phenyl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-(5-methyl-4-phenyl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-(5-methyl-4-phenyl-1,3-thiazol-2-yl)urea is CCOc1ccc(NC(=O)Nc2nc(-c3ccccc3)c(C)s2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-(5-methyl-4-phenyl-1,3-thiazol-2-yl)urea?
The InChIKey is RQKIDQXMXJEKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-3-24-16-11-9-15(10-12-16)20-18(23)22-19-21-17(13(2)25-19)14-7-5-4-6-8-14/h4-12H,3H2,1-2H3,(H2,20,21,22,23).
What are the key properties of 1-(4-ethoxyphenyl)-3-(5-methyl-4-phenyl-1,3-thiazol-2-yl)urea?
1-(4-ethoxyphenyl)-3-(5-methyl-4-phenyl-1,3-thiazol-2-yl)urea has a molecular weight of 353.45 g/mol, XLogP of 5.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-(5-methyl-4-phenyl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 4684624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).