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

C9H15N3O2S — CID 47324781

IUPAC1-(2-methoxyethyl)-1-methyl-3-(5-methyl-1,3-thiazol-2-yl)urea
SMILESCOCCN(C)C(=O)Nc1ncc(C)s1
InChIInChI=1S/C9H15N3O2S/c1-7-6-10-8(15-7)11-9(13)12(2)4-5-14-3/h6H,4-5H2,1-3H3,(H,10,11,13)
InChIKeyVTANFANGXKBCIX-UHFFFAOYSA-N
MW229.30 g/mol
LogP1.56
Rot. Bonds4

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

1-(2-methoxyethyl)-1-methyl-3-(5-methyl-1,3-thiazol-2-yl)urea (PubChem CID 47324781) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-1-methyl-3-(5-methyl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-1-methyl-3-(5-methyl-1,3-thiazol-2-yl)urea
PubChem CID47324781
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Name1-(2-methoxyethyl)-1-methyl-3-(5-methyl-1,3-thiazol-2-yl)urea
SMILESCOCCN(C)C(=O)Nc1ncc(C)s1
InChIInChI=1S/C9H15N3O2S/c1-7-6-10-8(15-7)11-9(13)12(2)4-5-14-3/h6H,4-5H2,1-3H3,(H,10,11,13)
InChIKeyVTANFANGXKBCIX-UHFFFAOYSA-N
XLogP1.56
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-1-methyl-3-(5-methyl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-(2-methoxyethyl)-1-methyl-3-(5-methyl-1,3-thiazol-2-yl)urea (CID 47324781) is 1-(2-methoxyethyl)-1-methyl-3-(5-methyl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-(2-methoxyethyl)-1-methyl-3-(5-methyl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-(2-methoxyethyl)-1-methyl-3-(5-methyl-1,3-thiazol-2-yl)urea is COCCN(C)C(=O)Nc1ncc(C)s1.
What is the InChIKey of 1-(2-methoxyethyl)-1-methyl-3-(5-methyl-1,3-thiazol-2-yl)urea?
The InChIKey is VTANFANGXKBCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-7-6-10-8(15-7)11-9(13)12(2)4-5-14-3/h6H,4-5H2,1-3H3,(H,10,11,13).
What are the key properties of 1-(2-methoxyethyl)-1-methyl-3-(5-methyl-1,3-thiazol-2-yl)urea?
1-(2-methoxyethyl)-1-methyl-3-(5-methyl-1,3-thiazol-2-yl)urea has a molecular weight of 229.30 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-1-methyl-3-(5-methyl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 47324781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).