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

C9H15N3O2S — CID 91649459

IUPAC1-ethoxy-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
SMILESCCONC(=O)NCCc1ncc(C)s1
InChIInChI=1S/C9H15N3O2S/c1-3-14-12-9(13)10-5-4-8-11-6-7(2)15-8/h6H,3-5H2,1-2H3,(H2,10,12,13)
InChIKeyUIKQFCWRUCCUNS-UHFFFAOYSA-N
MW229.30 g/mol
LogP1.24
Rot. Bonds5

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

1-ethoxy-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea (PubChem CID 91649459) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is 1-ethoxy-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-ethoxy-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
PubChem CID91649459
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Name1-ethoxy-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
SMILESCCONC(=O)NCCc1ncc(C)s1
InChIInChI=1S/C9H15N3O2S/c1-3-14-12-9(13)10-5-4-8-11-6-7(2)15-8/h6H,3-5H2,1-2H3,(H2,10,12,13)
InChIKeyUIKQFCWRUCCUNS-UHFFFAOYSA-N
XLogP1.24
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea?
The IUPAC name of 1-ethoxy-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea (CID 91649459) is 1-ethoxy-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea.
What is the SMILES notation for 1-ethoxy-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea?
The canonical SMILES for 1-ethoxy-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea is CCONC(=O)NCCc1ncc(C)s1.
What is the InChIKey of 1-ethoxy-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea?
The InChIKey is UIKQFCWRUCCUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-3-14-12-9(13)10-5-4-8-11-6-7(2)15-8/h6H,3-5H2,1-2H3,(H2,10,12,13).
What are the key properties of 1-ethoxy-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea?
1-ethoxy-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea has a molecular weight of 229.30 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea is sourced from PubChem (CID 91649459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).