1-methoxy-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea

C8H13N3O2S — CID 47223658

IUPAC1-methoxy-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
SMILESCONC(=O)NCCc1csc(C)n1
InChIInChI=1S/C8H13N3O2S/c1-6-10-7(5-14-6)3-4-9-8(12)11-13-2/h5H,3-4H2,1-2H3,(H2,9,11,12)
InChIKeyPQCFUUXTAYONJL-UHFFFAOYSA-N
MW215.28 g/mol
LogP0.85
Rot. Bonds4

About 1-methoxy-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea

1-methoxy-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea (PubChem CID 47223658) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is 1-methoxy-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-methoxy-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
PubChem CID47223658
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC Name1-methoxy-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
SMILESCONC(=O)NCCc1csc(C)n1
InChIInChI=1S/C8H13N3O2S/c1-6-10-7(5-14-6)3-4-9-8(12)11-13-2/h5H,3-4H2,1-2H3,(H2,9,11,12)
InChIKeyPQCFUUXTAYONJL-UHFFFAOYSA-N
XLogP0.85
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 50.85
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-methoxy-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea?
The IUPAC name of 1-methoxy-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea (CID 47223658) is 1-methoxy-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-methoxy-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea?
The canonical SMILES for 1-methoxy-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea is CONC(=O)NCCc1csc(C)n1.
What is the InChIKey of 1-methoxy-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea?
The InChIKey is PQCFUUXTAYONJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-6-10-7(5-14-6)3-4-9-8(12)11-13-2/h5H,3-4H2,1-2H3,(H2,9,11,12).
What are the key properties of 1-methoxy-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea?
1-methoxy-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea has a molecular weight of 215.28 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea is sourced from PubChem (CID 47223658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).