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

C7H11N3O2S — CID 10987297

IUPAC1-methoxy-1-methyl-3-(3-methyl-1,2-thiazol-5-yl)urea
SMILESCON(C)C(=O)Nc1cc(C)ns1
InChIInChI=1S/C7H11N3O2S/c1-5-4-6(13-9-5)8-7(11)10(2)12-3/h4H,1-3H3,(H,8,11)
InChIKeyCDWOHNXRZMIOMG-UHFFFAOYSA-N
MW201.25 g/mol
LogP1.48
Rot. Bonds2

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

1-methoxy-1-methyl-3-(3-methyl-1,2-thiazol-5-yl)urea (PubChem CID 10987297) has the molecular formula C7H11N3O2S and a molecular weight of 201.25 g/mol. Its IUPAC name is 1-methoxy-1-methyl-3-(3-methyl-1,2-thiazol-5-yl)urea.

Molecular Properties

Compound Name1-methoxy-1-methyl-3-(3-methyl-1,2-thiazol-5-yl)urea
PubChem CID10987297
Molecular FormulaC7H11N3O2S
Molecular Weight201.25 g/mol
Exact Mass201.06
IUPAC Name1-methoxy-1-methyl-3-(3-methyl-1,2-thiazol-5-yl)urea
SMILESCON(C)C(=O)Nc1cc(C)ns1
InChIInChI=1S/C7H11N3O2S/c1-5-4-6(13-9-5)8-7(11)10(2)12-3/h4H,1-3H3,(H,8,11)
InChIKeyCDWOHNXRZMIOMG-UHFFFAOYSA-N
XLogP1.48
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 51.48
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 1-methoxy-1-methyl-3-(3-methyl-1,2-thiazol-5-yl)urea?
The IUPAC name of 1-methoxy-1-methyl-3-(3-methyl-1,2-thiazol-5-yl)urea (CID 10987297) is 1-methoxy-1-methyl-3-(3-methyl-1,2-thiazol-5-yl)urea.
What is the SMILES notation for 1-methoxy-1-methyl-3-(3-methyl-1,2-thiazol-5-yl)urea?
The canonical SMILES for 1-methoxy-1-methyl-3-(3-methyl-1,2-thiazol-5-yl)urea is CON(C)C(=O)Nc1cc(C)ns1.
What is the InChIKey of 1-methoxy-1-methyl-3-(3-methyl-1,2-thiazol-5-yl)urea?
The InChIKey is CDWOHNXRZMIOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2S/c1-5-4-6(13-9-5)8-7(11)10(2)12-3/h4H,1-3H3,(H,8,11).
What are the key properties of 1-methoxy-1-methyl-3-(3-methyl-1,2-thiazol-5-yl)urea?
1-methoxy-1-methyl-3-(3-methyl-1,2-thiazol-5-yl)urea has a molecular weight of 201.25 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-1-methyl-3-(3-methyl-1,2-thiazol-5-yl)urea is sourced from PubChem (CID 10987297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).