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

C10H10N4OS — CID 104772289

IUPAC5-amino-4-(4-methyl-1,3-thiazol-2-yl)-3-prop-2-ynyl-4H-imidazol-2-one
SMILESC#CCN1C(=O)N=C(N)C1c1nc(C)cs1
InChIInChI=1S/C10H10N4OS/c1-3-4-14-7(8(11)13-10(14)15)9-12-6(2)5-16-9/h1,5,7H,4H2,2H3,(H2,11,13,15)
InChIKeyZQPBLVACUZLFQB-UHFFFAOYSA-N
MW234.28 g/mol
LogP0.92
Rot. Bonds2

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

5-amino-4-(4-methyl-1,3-thiazol-2-yl)-3-prop-2-ynyl-4H-imidazol-2-one (PubChem CID 104772289) has the molecular formula C10H10N4OS and a molecular weight of 234.28 g/mol. Its IUPAC name is 5-amino-4-(4-methyl-1,3-thiazol-2-yl)-3-prop-2-ynyl-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-4-(4-methyl-1,3-thiazol-2-yl)-3-prop-2-ynyl-4H-imidazol-2-one
PubChem CID104772289
Molecular FormulaC10H10N4OS
Molecular Weight234.28 g/mol
Exact Mass234.06
IUPAC Name5-amino-4-(4-methyl-1,3-thiazol-2-yl)-3-prop-2-ynyl-4H-imidazol-2-one
SMILESC#CCN1C(=O)N=C(N)C1c1nc(C)cs1
InChIInChI=1S/C10H10N4OS/c1-3-4-14-7(8(11)13-10(14)15)9-12-6(2)5-16-9/h1,5,7H,4H2,2H3,(H2,11,13,15)
InChIKeyZQPBLVACUZLFQB-UHFFFAOYSA-N
XLogP0.92
TPSA71.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(4-methyl-1,3-thiazol-2-yl)-3-prop-2-ynyl-4H-imidazol-2-one?
The IUPAC name of 5-amino-4-(4-methyl-1,3-thiazol-2-yl)-3-prop-2-ynyl-4H-imidazol-2-one (CID 104772289) is 5-amino-4-(4-methyl-1,3-thiazol-2-yl)-3-prop-2-ynyl-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-4-(4-methyl-1,3-thiazol-2-yl)-3-prop-2-ynyl-4H-imidazol-2-one?
The canonical SMILES for 5-amino-4-(4-methyl-1,3-thiazol-2-yl)-3-prop-2-ynyl-4H-imidazol-2-one is C#CCN1C(=O)N=C(N)C1c1nc(C)cs1.
What is the InChIKey of 5-amino-4-(4-methyl-1,3-thiazol-2-yl)-3-prop-2-ynyl-4H-imidazol-2-one?
The InChIKey is ZQPBLVACUZLFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4OS/c1-3-4-14-7(8(11)13-10(14)15)9-12-6(2)5-16-9/h1,5,7H,4H2,2H3,(H2,11,13,15).
What are the key properties of 5-amino-4-(4-methyl-1,3-thiazol-2-yl)-3-prop-2-ynyl-4H-imidazol-2-one?
5-amino-4-(4-methyl-1,3-thiazol-2-yl)-3-prop-2-ynyl-4H-imidazol-2-one has a molecular weight of 234.28 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(4-methyl-1,3-thiazol-2-yl)-3-prop-2-ynyl-4H-imidazol-2-one is sourced from PubChem (CID 104772289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).