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

C16H21N3O2S — CID 75477154

IUPAC1-(2-ethoxyethyl)-1-methyl-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)urea
SMILESCCOCCN(C)C(=O)Nc1sc(-c2ccccc2)nc1C
InChIInChI=1S/C16H21N3O2S/c1-4-21-11-10-19(3)16(20)18-14-12(2)17-15(22-14)13-8-6-5-7-9-13/h5-9H,4,10-11H2,1-3H3,(H,18,20)
InChIKeyJUFRPLFRVZQHLZ-UHFFFAOYSA-N
MW319.43 g/mol
LogP3.62
Rot. Bonds6

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

1-(2-ethoxyethyl)-1-methyl-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)urea (PubChem CID 75477154) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-1-methyl-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)urea.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-1-methyl-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)urea
PubChem CID75477154
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name1-(2-ethoxyethyl)-1-methyl-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)urea
SMILESCCOCCN(C)C(=O)Nc1sc(-c2ccccc2)nc1C
InChIInChI=1S/C16H21N3O2S/c1-4-21-11-10-19(3)16(20)18-14-12(2)17-15(22-14)13-8-6-5-7-9-13/h5-9H,4,10-11H2,1-3H3,(H,18,20)
InChIKeyJUFRPLFRVZQHLZ-UHFFFAOYSA-N
XLogP3.62
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-1-methyl-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)urea?
The IUPAC name of 1-(2-ethoxyethyl)-1-methyl-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)urea (CID 75477154) is 1-(2-ethoxyethyl)-1-methyl-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)urea.
What is the SMILES notation for 1-(2-ethoxyethyl)-1-methyl-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)urea?
The canonical SMILES for 1-(2-ethoxyethyl)-1-methyl-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)urea is CCOCCN(C)C(=O)Nc1sc(-c2ccccc2)nc1C.
What is the InChIKey of 1-(2-ethoxyethyl)-1-methyl-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)urea?
The InChIKey is JUFRPLFRVZQHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-4-21-11-10-19(3)16(20)18-14-12(2)17-15(22-14)13-8-6-5-7-9-13/h5-9H,4,10-11H2,1-3H3,(H,18,20).
What are the key properties of 1-(2-ethoxyethyl)-1-methyl-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)urea?
1-(2-ethoxyethyl)-1-methyl-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)urea has a molecular weight of 319.43 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-1-methyl-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)urea is sourced from PubChem (CID 75477154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).