4-phenyl-[1,3]thiazino[3,2-a]benzimidazol-2-imine

C16H11N3S — CID 12782582

IUPAC4-phenyl-[1,3]thiazino[3,2-a]benzimidazol-2-imine
SMILES[H]/N=c1/cc(-c2ccccc2)n2c(nc3ccccc32)s1
InChIInChI=1S/C16H11N3S/c17-15-10-14(11-6-2-1-3-7-11)19-13-9-5-4-8-12(13)18-16(19)20-15/h1-10,17H/b17-15-
InChIKeyYFAFKXNKHOYWTP-ICFOKQHNSA-N
MW277.35 g/mol
LogP3.70
Rot. Bonds1

About 4-phenyl-[1,3]thiazino[3,2-a]benzimidazol-2-imine

4-phenyl-[1,3]thiazino[3,2-a]benzimidazol-2-imine (PubChem CID 12782582) has the molecular formula C16H11N3S and a molecular weight of 277.35 g/mol. Its IUPAC name is 4-phenyl-[1,3]thiazino[3,2-a]benzimidazol-2-imine.

Molecular Properties

Compound Name4-phenyl-[1,3]thiazino[3,2-a]benzimidazol-2-imine
PubChem CID12782582
Molecular FormulaC16H11N3S
Molecular Weight277.35 g/mol
Exact Mass277.07
IUPAC Name4-phenyl-[1,3]thiazino[3,2-a]benzimidazol-2-imine
SMILES[H]/N=c1/cc(-c2ccccc2)n2c(nc3ccccc32)s1
InChIInChI=1S/C16H11N3S/c17-15-10-14(11-6-2-1-3-7-11)19-13-9-5-4-8-12(13)18-16(19)20-15/h1-10,17H/b17-15-
InChIKeyYFAFKXNKHOYWTP-ICFOKQHNSA-N
XLogP3.70
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-phenylpyrimido[1,2-a]benzimidazol-2-amine
CID 2825239
phenyl-(1-phenyl-[1,3]thiazolo[3,2-a]benzimidazol-2-yl)diazene
CID 14906114
4-[4-(3-phenylquinoxalin-2-yl)phenyl]benzimidazolo[2,1-b][1,3]benzothiazole
CID 170193584
1-(4-chlorophenyl)-[1,3]thiazolo[3,2-a]benzimidazole chloride
CID 21178978
ethane;4-methyl-17-thia-1,8,15,19-tetrazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene
CID 145383764
2-phenyl-[1,3]thiazolo[3,2-a]benzimidazole
CID 4694439
4-(4-fluorophenyl)-2-phenylpyrimido[1,2-a]benzimidazole
CID 132502018
2-[[1-(4-bromophenyl)-2,5-diphenylpyrrol-3-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 3117832
4-(3-carbazol-9-ylcarbazol-9-yl)-17-thia-1,8,15,19-tetrazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene
CID 122546171
3-[4-([1,3]thiazolo[3,2-a]benzimidazol-1-yl)phenyl]propanoic acid
CID 54018589
6-phenylbenzimidazolo[2,1-a]isoquinoline-3-carbonitrile
CID 71560265
3-chlorobenzimidazolo[2,1-b][1,3]benzothiazin-12-one
CID 162723176

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-[1,3]thiazino[3,2-a]benzimidazol-2-imine?
The IUPAC name of 4-phenyl-[1,3]thiazino[3,2-a]benzimidazol-2-imine (CID 12782582) is 4-phenyl-[1,3]thiazino[3,2-a]benzimidazol-2-imine.
What is the SMILES notation for 4-phenyl-[1,3]thiazino[3,2-a]benzimidazol-2-imine?
The canonical SMILES for 4-phenyl-[1,3]thiazino[3,2-a]benzimidazol-2-imine is [H]/N=c1/cc(-c2ccccc2)n2c(nc3ccccc32)s1.
What is the InChIKey of 4-phenyl-[1,3]thiazino[3,2-a]benzimidazol-2-imine?
The InChIKey is YFAFKXNKHOYWTP-ICFOKQHNSA-N. The full InChI is InChI=1S/C16H11N3S/c17-15-10-14(11-6-2-1-3-7-11)19-13-9-5-4-8-12(13)18-16(19)20-15/h1-10,17H/b17-15-.
What are the key properties of 4-phenyl-[1,3]thiazino[3,2-a]benzimidazol-2-imine?
4-phenyl-[1,3]thiazino[3,2-a]benzimidazol-2-imine has a molecular weight of 277.35 g/mol, XLogP of 3.70, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-[1,3]thiazino[3,2-a]benzimidazol-2-imine is sourced from PubChem (CID 12782582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).