4,4-dimethyl-2-(1,3-thiazol-4-yl)-1H-imidazol-5-one

C8H9N3OS — CID 106953213

IUPAC4,4-dimethyl-2-(1,3-thiazol-4-yl)-1H-imidazol-5-one
SMILESCC1(C)N=C(c2cscn2)NC1=O
InChIInChI=1S/C8H9N3OS/c1-8(2)7(12)10-6(11-8)5-3-13-4-9-5/h3-4H,1-2H3,(H,10,11,12)
InChIKeyAILWLCAOCOJYIA-UHFFFAOYSA-N
MW195.25 g/mol
LogP0.80
Rot. Bonds1

About 4,4-dimethyl-2-(1,3-thiazol-4-yl)-1H-imidazol-5-one

4,4-dimethyl-2-(1,3-thiazol-4-yl)-1H-imidazol-5-one (PubChem CID 106953213) has the molecular formula C8H9N3OS and a molecular weight of 195.25 g/mol. Its IUPAC name is 4,4-dimethyl-2-(1,3-thiazol-4-yl)-1H-imidazol-5-one.

Molecular Properties

Compound Name4,4-dimethyl-2-(1,3-thiazol-4-yl)-1H-imidazol-5-one
PubChem CID106953213
Molecular FormulaC8H9N3OS
Molecular Weight195.25 g/mol
Exact Mass195.05
IUPAC Name4,4-dimethyl-2-(1,3-thiazol-4-yl)-1H-imidazol-5-one
SMILESCC1(C)N=C(c2cscn2)NC1=O
InChIInChI=1S/C8H9N3OS/c1-8(2)7(12)10-6(11-8)5-3-13-4-9-5/h3-4H,1-2H3,(H,10,11,12)
InChIKeyAILWLCAOCOJYIA-UHFFFAOYSA-N
XLogP0.80
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-(1,3-thiazol-4-yl)-1H-imidazol-5-one?
The IUPAC name of 4,4-dimethyl-2-(1,3-thiazol-4-yl)-1H-imidazol-5-one (CID 106953213) is 4,4-dimethyl-2-(1,3-thiazol-4-yl)-1H-imidazol-5-one.
What is the SMILES notation for 4,4-dimethyl-2-(1,3-thiazol-4-yl)-1H-imidazol-5-one?
The canonical SMILES for 4,4-dimethyl-2-(1,3-thiazol-4-yl)-1H-imidazol-5-one is CC1(C)N=C(c2cscn2)NC1=O.
What is the InChIKey of 4,4-dimethyl-2-(1,3-thiazol-4-yl)-1H-imidazol-5-one?
The InChIKey is AILWLCAOCOJYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3OS/c1-8(2)7(12)10-6(11-8)5-3-13-4-9-5/h3-4H,1-2H3,(H,10,11,12).
What are the key properties of 4,4-dimethyl-2-(1,3-thiazol-4-yl)-1H-imidazol-5-one?
4,4-dimethyl-2-(1,3-thiazol-4-yl)-1H-imidazol-5-one has a molecular weight of 195.25 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-(1,3-thiazol-4-yl)-1H-imidazol-5-one is sourced from PubChem (CID 106953213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).