3-[(6-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one

C19H12N4OS — CID 155553038

IUPAC3-[(6-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2C1=Cc1c(-c2ccncc2)nc2sccn12
InChIInChI=1S/C19H12N4OS/c24-18-14(13-3-1-2-4-15(13)21-18)11-16-17(12-5-7-20-8-6-12)22-19-23(16)9-10-25-19/h1-11H,(H,21,24)
InChIKeyOHYBNCKPKIHMHL-UHFFFAOYSA-N
MW344.40 g/mol
LogP3.95
Rot. Bonds2

About 3-[(6-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one

3-[(6-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one (PubChem CID 155553038) has the molecular formula C19H12N4OS and a molecular weight of 344.40 g/mol. Its IUPAC name is 3-[(6-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name3-[(6-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one
PubChem CID155553038
Molecular FormulaC19H12N4OS
Molecular Weight344.40 g/mol
Exact Mass344.07
IUPAC Name3-[(6-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2C1=Cc1c(-c2ccncc2)nc2sccn12
InChIInChI=1S/C19H12N4OS/c24-18-14(13-3-1-2-4-15(13)21-18)11-16-17(12-5-7-20-8-6-12)22-19-23(16)9-10-25-19/h1-11H,(H,21,24)
InChIKeyOHYBNCKPKIHMHL-UHFFFAOYSA-N
XLogP3.95
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl)thiophene-2-carboxamide
CID 7080336
2-(4-fluorophenyl)-N-(3-piperidin-1-ylpropyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 16018309
3-[12-Methyl-8-(methylamino)-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-4-yl]benzamide
CID 20823952
3-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 24789150
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide
CID 685797
N-[2-(diethylamino)ethyl]-2-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 16018572
2-{3-[12-Methyl-8-(methylamino)-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-4-yl]phenyl}acetamide
CID 25093453
N-(6-phenyl-5-imidazo[2,1-b]thiazolyl)benzamide
CID 786409
N-(3-(5-(2-(4-(2-(dimethylamino)ethyl)phenylamino)pyrimidin-4-yl)imidazo[2,1-b]thiazol-6-yl)phenyl)-2,6-difluorobenzamide
CID 46865992
N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)thiophene-2-carboxamide
CID 695176
7-(2-oxo-2-phenylethyl)-6-phenyl-7H-imidazo[2,1-b][1,3]thiazol-4-ium bromide
CID 2879421
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)thiophene-2-carboxamide
CID 6462583

Frequently Asked Questions

What is the IUPAC name of 3-[(6-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one?
The IUPAC name of 3-[(6-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one (CID 155553038) is 3-[(6-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one.
What is the SMILES notation for 3-[(6-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one?
The canonical SMILES for 3-[(6-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one is O=C1Nc2ccccc2C1=Cc1c(-c2ccncc2)nc2sccn12.
What is the InChIKey of 3-[(6-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one?
The InChIKey is OHYBNCKPKIHMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N4OS/c24-18-14(13-3-1-2-4-15(13)21-18)11-16-17(12-5-7-20-8-6-12)22-19-23(16)9-10-25-19/h1-11H,(H,21,24).
What are the key properties of 3-[(6-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one?
3-[(6-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one has a molecular weight of 344.40 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 155553038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).