(2Z)-2-[[5-[4-(tetrazol-1-yl)phenyl]furan-2-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

C21H12N6O2S — CID 5433389

IUPAC(2Z)-2-[[5-[4-(tetrazol-1-yl)phenyl]furan-2-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SMILESO=c1/c(=C/c2ccc(-c3ccc(-n4cnnn4)cc3)o2)sc2nc3ccccc3n12
InChIInChI=1S/C21H12N6O2S/c28-20-19(30-21-23-16-3-1-2-4-17(16)27(20)21)11-15-9-10-18(29-15)13-5-7-14(8-6-13)26-12-22-24-25-26/h1-12H/b19-11-
InChIKeyLTZZVPCTOVAJGG-ODLFYWEKSA-N
MW412.43 g/mol
LogP2.69
Rot. Bonds3

About (2Z)-2-[[5-[4-(tetrazol-1-yl)phenyl]furan-2-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

(2Z)-2-[[5-[4-(tetrazol-1-yl)phenyl]furan-2-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one (PubChem CID 5433389) has the molecular formula C21H12N6O2S and a molecular weight of 412.43 g/mol. Its IUPAC name is (2Z)-2-[[5-[4-(tetrazol-1-yl)phenyl]furan-2-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one.

Molecular Properties

Compound Name(2Z)-2-[[5-[4-(tetrazol-1-yl)phenyl]furan-2-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
PubChem CID5433389
Molecular FormulaC21H12N6O2S
Molecular Weight412.43 g/mol
Exact Mass412.07
IUPAC Name(2Z)-2-[[5-[4-(tetrazol-1-yl)phenyl]furan-2-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SMILESO=c1/c(=C/c2ccc(-c3ccc(-n4cnnn4)cc3)o2)sc2nc3ccccc3n12
InChIInChI=1S/C21H12N6O2S/c28-20-19(30-21-23-16-3-1-2-4-17(16)27(20)21)11-15-9-10-18(29-15)13-5-7-14(8-6-13)26-12-22-24-25-26/h1-12H/b19-11-
InChIKeyLTZZVPCTOVAJGG-ODLFYWEKSA-N
XLogP2.69
TPSA91.11 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.43
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[[5-[4-(tetrazol-1-yl)phenyl]furan-2-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The IUPAC name of (2Z)-2-[[5-[4-(tetrazol-1-yl)phenyl]furan-2-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one (CID 5433389) is (2Z)-2-[[5-[4-(tetrazol-1-yl)phenyl]furan-2-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one.
What is the SMILES notation for (2Z)-2-[[5-[4-(tetrazol-1-yl)phenyl]furan-2-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The canonical SMILES for (2Z)-2-[[5-[4-(tetrazol-1-yl)phenyl]furan-2-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is O=c1/c(=C/c2ccc(-c3ccc(-n4cnnn4)cc3)o2)sc2nc3ccccc3n12.
What is the InChIKey of (2Z)-2-[[5-[4-(tetrazol-1-yl)phenyl]furan-2-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The InChIKey is LTZZVPCTOVAJGG-ODLFYWEKSA-N. The full InChI is InChI=1S/C21H12N6O2S/c28-20-19(30-21-23-16-3-1-2-4-17(16)27(20)21)11-15-9-10-18(29-15)13-5-7-14(8-6-13)26-12-22-24-25-26/h1-12H/b19-11-.
What are the key properties of (2Z)-2-[[5-[4-(tetrazol-1-yl)phenyl]furan-2-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
(2Z)-2-[[5-[4-(tetrazol-1-yl)phenyl]furan-2-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one has a molecular weight of 412.43 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[[5-[4-(tetrazol-1-yl)phenyl]furan-2-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is sourced from PubChem (CID 5433389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).