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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Related Compounds

2-(4-bromophenyl)-4,4-dimethyl-1H-imidazol-5-one
CID 106953323
3,3-dimethyl-6-(1,3-thiazol-4-yl)-1,7-dihydropyrrolo[3,2-f]indol-2-one
CID 70381621
1,4-bis(1,3-thiazol-4-yl)pyrrolo[3,4-c]pyrrole-3,6-dione
CID 161233548
7,7-dimethyl-2-(1,3-thiazol-4-yl)-5H-pyrrolo[3,2-f][1,3]benzoxazol-6-one
CID 19992379
4-(2,6-dideuteriophenyl)-1,3-thiazole
CID 101141064
5,5-Dimethyl-2-selenoxoimidazolidin-4-one
CID 6335031
2-oxo-5-(1,3-thiazol-4-yl)-1,3-dihydropyrrole-4-carboxylic acid
CID 96614671
2-methyl-6-(1,3-thiazol-4-yl)-4H-1,4-benzoxazin-3-one
CID 82354896
4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-thiazole
CID 131627676
ethane;4-(2-methylsulfinylpyrimidin-4-yl)-1,3-thiazole
CID 90793423
4-(3,4,5-trimethylphenyl)-1,3-thiazole
CID 174513001
1,3-thiazol-4-ylphosphane
CID 23047202

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).