5-amino-3-(2-methoxyethyl)-4-(2-methyl-1,3-thiazol-4-yl)-4H-imidazol-2-one

C10H14N4O2S — CID 113472602

IUPAC5-amino-3-(2-methoxyethyl)-4-(2-methyl-1,3-thiazol-4-yl)-4H-imidazol-2-one
SMILESCOCCN1C(=O)N=C(N)C1c1csc(C)n1
InChIInChI=1S/C10H14N4O2S/c1-6-12-7(5-17-6)8-9(11)13-10(15)14(8)3-4-16-2/h5,8H,3-4H2,1-2H3,(H2,11,13,15)
InChIKeyGMXBMSRSDGIOOS-UHFFFAOYSA-N
MW254.31 g/mol
LogP0.93
Rot. Bonds4

About 5-amino-3-(2-methoxyethyl)-4-(2-methyl-1,3-thiazol-4-yl)-4H-imidazol-2-one

5-amino-3-(2-methoxyethyl)-4-(2-methyl-1,3-thiazol-4-yl)-4H-imidazol-2-one (PubChem CID 113472602) has the molecular formula C10H14N4O2S and a molecular weight of 254.31 g/mol. Its IUPAC name is 5-amino-3-(2-methoxyethyl)-4-(2-methyl-1,3-thiazol-4-yl)-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-3-(2-methoxyethyl)-4-(2-methyl-1,3-thiazol-4-yl)-4H-imidazol-2-one
PubChem CID113472602
Molecular FormulaC10H14N4O2S
Molecular Weight254.31 g/mol
Exact Mass254.08
IUPAC Name5-amino-3-(2-methoxyethyl)-4-(2-methyl-1,3-thiazol-4-yl)-4H-imidazol-2-one
SMILESCOCCN1C(=O)N=C(N)C1c1csc(C)n1
InChIInChI=1S/C10H14N4O2S/c1-6-12-7(5-17-6)8-9(11)13-10(15)14(8)3-4-16-2/h5,8H,3-4H2,1-2H3,(H2,11,13,15)
InChIKeyGMXBMSRSDGIOOS-UHFFFAOYSA-N
XLogP0.93
TPSA80.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(2-methoxyethyl)-4-(2-methyl-1,3-thiazol-4-yl)-4H-imidazol-2-one?
The IUPAC name of 5-amino-3-(2-methoxyethyl)-4-(2-methyl-1,3-thiazol-4-yl)-4H-imidazol-2-one (CID 113472602) is 5-amino-3-(2-methoxyethyl)-4-(2-methyl-1,3-thiazol-4-yl)-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-3-(2-methoxyethyl)-4-(2-methyl-1,3-thiazol-4-yl)-4H-imidazol-2-one?
The canonical SMILES for 5-amino-3-(2-methoxyethyl)-4-(2-methyl-1,3-thiazol-4-yl)-4H-imidazol-2-one is COCCN1C(=O)N=C(N)C1c1csc(C)n1.
What is the InChIKey of 5-amino-3-(2-methoxyethyl)-4-(2-methyl-1,3-thiazol-4-yl)-4H-imidazol-2-one?
The InChIKey is GMXBMSRSDGIOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2S/c1-6-12-7(5-17-6)8-9(11)13-10(15)14(8)3-4-16-2/h5,8H,3-4H2,1-2H3,(H2,11,13,15).
What are the key properties of 5-amino-3-(2-methoxyethyl)-4-(2-methyl-1,3-thiazol-4-yl)-4H-imidazol-2-one?
5-amino-3-(2-methoxyethyl)-4-(2-methyl-1,3-thiazol-4-yl)-4H-imidazol-2-one has a molecular weight of 254.31 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(2-methoxyethyl)-4-(2-methyl-1,3-thiazol-4-yl)-4H-imidazol-2-one is sourced from PubChem (CID 113472602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).