4-[(E)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]benzonitrile

C17H9N3OS — CID 92967136

IUPAC4-[(E)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]benzonitrile
SMILESN#Cc1ccc(/C=c2/sc3nc4ccccc4n3c2=O)cc1
InChIInChI=1S/C17H9N3OS/c18-10-12-7-5-11(6-8-12)9-15-16(21)20-14-4-2-1-3-13(14)19-17(20)22-15/h1-9H/b15-9+
InChIKeyYNWNVSIITORISP-OQLLNIDSSA-N
MW303.35 g/mol
LogP2.33
Rot. Bonds1

About 4-[(E)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]benzonitrile

4-[(E)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]benzonitrile (PubChem CID 92967136) has the molecular formula C17H9N3OS and a molecular weight of 303.35 g/mol. Its IUPAC name is 4-[(E)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]benzonitrile.

Molecular Properties

Compound Name4-[(E)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]benzonitrile
PubChem CID92967136
Molecular FormulaC17H9N3OS
Molecular Weight303.35 g/mol
Exact Mass303.05
IUPAC Name4-[(E)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]benzonitrile
SMILESN#Cc1ccc(/C=c2/sc3nc4ccccc4n3c2=O)cc1
InChIInChI=1S/C17H9N3OS/c18-10-12-7-5-11(6-8-12)9-15-16(21)20-14-4-2-1-3-13(14)19-17(20)22-15/h1-9H/b15-9+
InChIKeyYNWNVSIITORISP-OQLLNIDSSA-N
XLogP2.33
TPSA58.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2E)-2-[[4-(dimethylamino)phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 682128
2-[(4-propan-2-ylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 3126656
(2Z)-2-[[4-(trifluoromethyl)phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 2289829
(2Z)-2-[[4-(cyclopropylmethoxy)phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 5455647
2-[[4-(N-methylanilino)phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 3550266
2-[(4-butoxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 4264144
2-[(3-bromo-4-hydroxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 1250170
ethyl 2-[4-[(E)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]acetate
CID 1276627
2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 1006631
(2Z)-2-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 2065735
2-[[4-[2-(2,6-dimethylphenoxy)ethoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 3792512
2-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 2869406

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]benzonitrile?
The IUPAC name of 4-[(E)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]benzonitrile (CID 92967136) is 4-[(E)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]benzonitrile.
What is the SMILES notation for 4-[(E)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]benzonitrile?
The canonical SMILES for 4-[(E)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]benzonitrile is N#Cc1ccc(/C=c2/sc3nc4ccccc4n3c2=O)cc1.
What is the InChIKey of 4-[(E)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]benzonitrile?
The InChIKey is YNWNVSIITORISP-OQLLNIDSSA-N. The full InChI is InChI=1S/C17H9N3OS/c18-10-12-7-5-11(6-8-12)9-15-16(21)20-14-4-2-1-3-13(14)19-17(20)22-15/h1-9H/b15-9+.
What are the key properties of 4-[(E)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]benzonitrile?
4-[(E)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]benzonitrile has a molecular weight of 303.35 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]benzonitrile is sourced from PubChem (CID 92967136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).