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

C19H11ClN4OS — CID 70696960

IUPAC5-chloro-3-[(6-pyridin-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccc(Cl)cc2C1=Cc1c(-c2ccccn2)nc2sccn12
InChIInChI=1S/C19H11ClN4OS/c20-11-4-5-14-12(9-11)13(18(25)22-14)10-16-17(15-3-1-2-6-21-15)23-19-24(16)7-8-26-19/h1-10H,(H,22,25)
InChIKeyLOIPEDUQTFUWOW-UHFFFAOYSA-N
MW378.84 g/mol
LogP4.60
Rot. Bonds2

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

5-chloro-3-[(6-pyridin-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one (PubChem CID 70696960) has the molecular formula C19H11ClN4OS and a molecular weight of 378.84 g/mol. Its IUPAC name is 5-chloro-3-[(6-pyridin-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name5-chloro-3-[(6-pyridin-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one
PubChem CID70696960
Molecular FormulaC19H11ClN4OS
Molecular Weight378.84 g/mol
Exact Mass378.03
IUPAC Name5-chloro-3-[(6-pyridin-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccc(Cl)cc2C1=Cc1c(-c2ccccn2)nc2sccn12
InChIInChI=1S/C19H11ClN4OS/c20-11-4-5-14-12(9-11)13(18(25)22-14)10-16-17(15-3-1-2-6-21-15)23-19-24(16)7-8-26-19/h1-10H,(H,22,25)
InChIKeyLOIPEDUQTFUWOW-UHFFFAOYSA-N
XLogP4.60
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.84
LogP ≤ 54.60
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

3-[1-(3-chloro-4-fluorophenyl)imidazo[1,5-a]pyridin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 24955150
2-chloro-N-(3-(5-(2-(phenylamino)pyrimidin-4-yl)imidazo[2,1-b]thiazol-6-yl)phenyl)benzamide
CID 46886310
4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-3-chloro-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 90283148
(3E)-5-chloro-3-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1-methylindol-2-one
CID 25155311
4-chloro-N-(4-imidazo[2,1-b][1,3]thiazol-3-ylphenyl)benzamide
CID 44530953
N-(4-chloro-3-(imidazo[2,1-b]thiazol-6-yl)phenyl)-2-methyl-6-(trifluoromethyl)nicotinamide
CID 45485724
2-chloro-N-(3-(5-(pyridin-4-yl)imidazo[2,1-b]thiazol-6-yl)phenyl)benzamide
CID 46886245
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-yl)-4-methylpyrazole-3-carboxamide
CID 56675378
(3E)-6-chloro-3-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one
CID 70682322
6-chloro-3-[(6-pyridin-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one
CID 70684408
(3E)-3-[(6-pyridin-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one
CID 70694913
6-chloro-3-[[2-methyl-6-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1H-indol-2-one
CID 155531361

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[(6-pyridin-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one?
The IUPAC name of 5-chloro-3-[(6-pyridin-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one (CID 70696960) is 5-chloro-3-[(6-pyridin-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one.
What is the SMILES notation for 5-chloro-3-[(6-pyridin-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one?
The canonical SMILES for 5-chloro-3-[(6-pyridin-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one is O=C1Nc2ccc(Cl)cc2C1=Cc1c(-c2ccccn2)nc2sccn12.
What is the InChIKey of 5-chloro-3-[(6-pyridin-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one?
The InChIKey is LOIPEDUQTFUWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClN4OS/c20-11-4-5-14-12(9-11)13(18(25)22-14)10-16-17(15-3-1-2-6-21-15)23-19-24(16)7-8-26-19/h1-10H,(H,22,25).
What are the key properties of 5-chloro-3-[(6-pyridin-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one?
5-chloro-3-[(6-pyridin-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one has a molecular weight of 378.84 g/mol, XLogP of 4.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[(6-pyridin-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 70696960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).