3-[(E)-2-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]-1H-quinoxalin-2-one

C17H14N4OS — CID 40671399

IUPAC3-[(E)-2-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]-1H-quinoxalin-2-one
SMILESCc1nc2scc(C)n2c1/C=C/c1nc2ccccc2[nH]c1=O
InChIInChI=1S/C17H14N4OS/c1-10-9-23-17-18-11(2)15(21(10)17)8-7-14-16(22)20-13-6-4-3-5-12(13)19-14/h3-9H,1-2H3,(H,20,22)/b8-7+
InChIKeyRCQHWBVSWKLJPS-BQYQJAHWSA-N
MW322.39 g/mol
LogP3.42
Rot. Bonds2

About 3-[(E)-2-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]-1H-quinoxalin-2-one

3-[(E)-2-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]-1H-quinoxalin-2-one (PubChem CID 40671399) has the molecular formula C17H14N4OS and a molecular weight of 322.39 g/mol. Its IUPAC name is 3-[(E)-2-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-[(E)-2-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]-1H-quinoxalin-2-one
PubChem CID40671399
Molecular FormulaC17H14N4OS
Molecular Weight322.39 g/mol
Exact Mass322.09
IUPAC Name3-[(E)-2-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]-1H-quinoxalin-2-one
SMILESCc1nc2scc(C)n2c1/C=C/c1nc2ccccc2[nH]c1=O
InChIInChI=1S/C17H14N4OS/c1-10-9-23-17-18-11(2)15(21(10)17)8-7-14-16(22)20-13-6-4-3-5-12(13)19-14/h3-9H,1-2H3,(H,20,22)/b8-7+
InChIKeyRCQHWBVSWKLJPS-BQYQJAHWSA-N
XLogP3.42
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]-1H-quinoxalin-2-one?
The IUPAC name of 3-[(E)-2-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]-1H-quinoxalin-2-one (CID 40671399) is 3-[(E)-2-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]-1H-quinoxalin-2-one.
What is the SMILES notation for 3-[(E)-2-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]-1H-quinoxalin-2-one?
The canonical SMILES for 3-[(E)-2-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]-1H-quinoxalin-2-one is Cc1nc2scc(C)n2c1/C=C/c1nc2ccccc2[nH]c1=O.
What is the InChIKey of 3-[(E)-2-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]-1H-quinoxalin-2-one?
The InChIKey is RCQHWBVSWKLJPS-BQYQJAHWSA-N. The full InChI is InChI=1S/C17H14N4OS/c1-10-9-23-17-18-11(2)15(21(10)17)8-7-14-16(22)20-13-6-4-3-5-12(13)19-14/h3-9H,1-2H3,(H,20,22)/b8-7+.
What are the key properties of 3-[(E)-2-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]-1H-quinoxalin-2-one?
3-[(E)-2-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]-1H-quinoxalin-2-one has a molecular weight of 322.39 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]-1H-quinoxalin-2-one is sourced from PubChem (CID 40671399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).