3-hydroxy-2-(3-phenylimidazo[2,1-b][1,3]thiazol-6-yl)-1H-pyrazol-5-one

C14H10N4O2S — CID 78319216

IUPAC3-hydroxy-2-(3-phenylimidazo[2,1-b][1,3]thiazol-6-yl)-1H-pyrazol-5-one
SMILESO=c1cc(O)n(-c2cn3c(-c4ccccc4)csc3n2)[nH]1
InChIInChI=1S/C14H10N4O2S/c19-12-6-13(20)18(16-12)11-7-17-10(8-21-14(17)15-11)9-4-2-1-3-5-9/h1-8,20H,(H,16,19)
InChIKeyUUGNLNSVTJOBBP-UHFFFAOYSA-N
MW298.33 g/mol
LogP2.25
Rot. Bonds2

About 3-hydroxy-2-(3-phenylimidazo[2,1-b][1,3]thiazol-6-yl)-1H-pyrazol-5-one

3-hydroxy-2-(3-phenylimidazo[2,1-b][1,3]thiazol-6-yl)-1H-pyrazol-5-one (PubChem CID 78319216) has the molecular formula C14H10N4O2S and a molecular weight of 298.33 g/mol. Its IUPAC name is 3-hydroxy-2-(3-phenylimidazo[2,1-b][1,3]thiazol-6-yl)-1H-pyrazol-5-one.

Molecular Properties

Compound Name3-hydroxy-2-(3-phenylimidazo[2,1-b][1,3]thiazol-6-yl)-1H-pyrazol-5-one
PubChem CID78319216
Molecular FormulaC14H10N4O2S
Molecular Weight298.33 g/mol
Exact Mass298.05
IUPAC Name3-hydroxy-2-(3-phenylimidazo[2,1-b][1,3]thiazol-6-yl)-1H-pyrazol-5-one
SMILESO=c1cc(O)n(-c2cn3c(-c4ccccc4)csc3n2)[nH]1
InChIInChI=1S/C14H10N4O2S/c19-12-6-13(20)18(16-12)11-7-17-10(8-21-14(17)15-11)9-4-2-1-3-5-9/h1-8,20H,(H,16,19)
InChIKeyUUGNLNSVTJOBBP-UHFFFAOYSA-N
XLogP2.25
TPSA75.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7-hydroxy-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 135542318
3-pyridin-4-ylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 3884103
3-(3-chlorophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole
CID 118723461
6-(4-fluorophenyl)-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198505
3-[4-(2-methylpropyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 3918771
2-[3-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-6-yl]acetic acid
CID 10661360
6-(5-bromo-1-benzofuran-2-yl)-3-phenylimidazo[2,1-b][1,3]thiazole
CID 155527280
6-(4-fluorophenyl)-3-pyridin-4-ylimidazo[2,1-b][1,3]thiazole
CID 54520416
2-methyl-3-phenyl-1H-pyrazol-5-one
CID 10844967
3-phenyl-[1,3]thiazolo[2,3-b]quinazolin-5-one
CID 3569212
3,5,6-triphenylimidazo[2,1-b][1,3]thiazole
CID 10760466
3-[6-(1-adamantyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N,N-dimethylaniline
CID 59031055

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(3-phenylimidazo[2,1-b][1,3]thiazol-6-yl)-1H-pyrazol-5-one?
The IUPAC name of 3-hydroxy-2-(3-phenylimidazo[2,1-b][1,3]thiazol-6-yl)-1H-pyrazol-5-one (CID 78319216) is 3-hydroxy-2-(3-phenylimidazo[2,1-b][1,3]thiazol-6-yl)-1H-pyrazol-5-one.
What is the SMILES notation for 3-hydroxy-2-(3-phenylimidazo[2,1-b][1,3]thiazol-6-yl)-1H-pyrazol-5-one?
The canonical SMILES for 3-hydroxy-2-(3-phenylimidazo[2,1-b][1,3]thiazol-6-yl)-1H-pyrazol-5-one is O=c1cc(O)n(-c2cn3c(-c4ccccc4)csc3n2)[nH]1.
What is the InChIKey of 3-hydroxy-2-(3-phenylimidazo[2,1-b][1,3]thiazol-6-yl)-1H-pyrazol-5-one?
The InChIKey is UUGNLNSVTJOBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O2S/c19-12-6-13(20)18(16-12)11-7-17-10(8-21-14(17)15-11)9-4-2-1-3-5-9/h1-8,20H,(H,16,19).
What are the key properties of 3-hydroxy-2-(3-phenylimidazo[2,1-b][1,3]thiazol-6-yl)-1H-pyrazol-5-one?
3-hydroxy-2-(3-phenylimidazo[2,1-b][1,3]thiazol-6-yl)-1H-pyrazol-5-one has a molecular weight of 298.33 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(3-phenylimidazo[2,1-b][1,3]thiazol-6-yl)-1H-pyrazol-5-one is sourced from PubChem (CID 78319216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).