3-methoxy-1-methyl-1-(1,2-thiazol-5-yl)urea

C6H9N3O2S — CID 87869781

IUPAC3-methoxy-1-methyl-1-(1,2-thiazol-5-yl)urea
SMILESCONC(=O)N(C)c1ccns1
InChIInChI=1S/C6H9N3O2S/c1-9(6(10)8-11-2)5-3-4-7-12-5/h3-4H,1-2H3,(H,8,10)
InChIKeyLWTMLISBCHFGSJ-UHFFFAOYSA-N
MW187.22 g/mol
LogP0.85
Rot. Bonds2

About 3-methoxy-1-methyl-1-(1,2-thiazol-5-yl)urea

3-methoxy-1-methyl-1-(1,2-thiazol-5-yl)urea (PubChem CID 87869781) has the molecular formula C6H9N3O2S and a molecular weight of 187.22 g/mol. Its IUPAC name is 3-methoxy-1-methyl-1-(1,2-thiazol-5-yl)urea.

Molecular Properties

Compound Name3-methoxy-1-methyl-1-(1,2-thiazol-5-yl)urea
PubChem CID87869781
Molecular FormulaC6H9N3O2S
Molecular Weight187.22 g/mol
Exact Mass187.04
IUPAC Name3-methoxy-1-methyl-1-(1,2-thiazol-5-yl)urea
SMILESCONC(=O)N(C)c1ccns1
InChIInChI=1S/C6H9N3O2S/c1-9(6(10)8-11-2)5-3-4-7-12-5/h3-4H,1-2H3,(H,8,10)
InChIKeyLWTMLISBCHFGSJ-UHFFFAOYSA-N
XLogP0.85
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 50.85
H-Bond Donors ≤ 51
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 3-methoxy-1-methyl-1-(1,2-thiazol-5-yl)urea?
The IUPAC name of 3-methoxy-1-methyl-1-(1,2-thiazol-5-yl)urea (CID 87869781) is 3-methoxy-1-methyl-1-(1,2-thiazol-5-yl)urea.
What is the SMILES notation for 3-methoxy-1-methyl-1-(1,2-thiazol-5-yl)urea?
The canonical SMILES for 3-methoxy-1-methyl-1-(1,2-thiazol-5-yl)urea is CONC(=O)N(C)c1ccns1.
What is the InChIKey of 3-methoxy-1-methyl-1-(1,2-thiazol-5-yl)urea?
The InChIKey is LWTMLISBCHFGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2S/c1-9(6(10)8-11-2)5-3-4-7-12-5/h3-4H,1-2H3,(H,8,10).
What are the key properties of 3-methoxy-1-methyl-1-(1,2-thiazol-5-yl)urea?
3-methoxy-1-methyl-1-(1,2-thiazol-5-yl)urea has a molecular weight of 187.22 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-methyl-1-(1,2-thiazol-5-yl)urea is sourced from PubChem (CID 87869781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).