2-[5-[(Z)-(6,7-dimethyl-1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]furan-2-yl]benzoate

C23H15N2O4S- — CID 2173771

IUPAC2-[5-[(Z)-(6,7-dimethyl-1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]furan-2-yl]benzoate
SMILESCc1cc2nc3s/c(=C\c4ccc(-c5ccccc5C(=O)[O-])o4)c(=O)n3c2cc1C
InChIInChI=1S/C23H16N2O4S/c1-12-9-17-18(10-13(12)2)25-21(26)20(30-23(25)24-17)11-14-7-8-19(29-14)15-5-3-4-6-16(15)22(27)28/h3-11H,1-2H3,(H,27,28)/p-1/b20-11-
InChIKeyUYYLCRHWINADHX-JAIQZWGSSA-M
MW415.45 g/mol
LogP2.70
Rot. Bonds3

About 2-[5-[(Z)-(6,7-dimethyl-1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]furan-2-yl]benzoate

2-[5-[(Z)-(6,7-dimethyl-1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]furan-2-yl]benzoate (PubChem CID 2173771) has the molecular formula C23H15N2O4S- and a molecular weight of 415.45 g/mol. Its IUPAC name is 2-[5-[(Z)-(6,7-dimethyl-1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]furan-2-yl]benzoate.

Molecular Properties

Compound Name2-[5-[(Z)-(6,7-dimethyl-1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]furan-2-yl]benzoate
PubChem CID2173771
Molecular FormulaC23H15N2O4S-
Molecular Weight415.45 g/mol
Exact Mass415.08
IUPAC Name2-[5-[(Z)-(6,7-dimethyl-1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]furan-2-yl]benzoate
SMILESCc1cc2nc3s/c(=C\c4ccc(-c5ccccc5C(=O)[O-])o4)c(=O)n3c2cc1C
InChIInChI=1S/C23H16N2O4S/c1-12-9-17-18(10-13(12)2)25-21(26)20(30-23(25)24-17)11-14-7-8-19(29-14)15-5-3-4-6-16(15)22(27)28/h3-11H,1-2H3,(H,27,28)/p-1/b20-11-
InChIKeyUYYLCRHWINADHX-JAIQZWGSSA-M
XLogP2.70
TPSA87.64 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-chloro-5-[5-[(6,7-dimethyl-1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]furan-2-yl]benzoate
CID 7000497
(2Z)-2-[[5-(4,5-dimethyl-2-nitrophenyl)furan-2-yl]methylidene]-6,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 999035
(2E)-2-[[5-(2,4-difluorophenyl)furan-2-yl]methylidene]-6,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 5290947
3-[5-[(E)-(6,7-dimethyl-1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]furan-2-yl]benzoic acid
CID 5286716
(2Z)-2-[[5-(2,5-dimethyl-3-nitrophenyl)furan-2-yl]methylidene]-6,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 5336256
2-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-6,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 2859433
(2E)-2-[[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene]-6,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 126398343
2-[[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylidene]-6,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 1355625
2-[5-[(5,6-dimethyl-1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]furan-2-yl]benzoic acid
CID 1252531
(2Z)-2-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene]-6,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 2257282
2-(furan-2-ylmethylidene)-6,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 699822
methyl 2-methyl-3-[5-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]furan-2-yl]benzoate
CID 124542662

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(Z)-(6,7-dimethyl-1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]furan-2-yl]benzoate?
The IUPAC name of 2-[5-[(Z)-(6,7-dimethyl-1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]furan-2-yl]benzoate (CID 2173771) is 2-[5-[(Z)-(6,7-dimethyl-1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]furan-2-yl]benzoate.
What is the SMILES notation for 2-[5-[(Z)-(6,7-dimethyl-1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]furan-2-yl]benzoate?
The canonical SMILES for 2-[5-[(Z)-(6,7-dimethyl-1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]furan-2-yl]benzoate is Cc1cc2nc3s/c(=C\c4ccc(-c5ccccc5C(=O)[O-])o4)c(=O)n3c2cc1C.
What is the InChIKey of 2-[5-[(Z)-(6,7-dimethyl-1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]furan-2-yl]benzoate?
The InChIKey is UYYLCRHWINADHX-JAIQZWGSSA-M. The full InChI is InChI=1S/C23H16N2O4S/c1-12-9-17-18(10-13(12)2)25-21(26)20(30-23(25)24-17)11-14-7-8-19(29-14)15-5-3-4-6-16(15)22(27)28/h3-11H,1-2H3,(H,27,28)/p-1/b20-11-.
What are the key properties of 2-[5-[(Z)-(6,7-dimethyl-1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]furan-2-yl]benzoate?
2-[5-[(Z)-(6,7-dimethyl-1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]furan-2-yl]benzoate has a molecular weight of 415.45 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(Z)-(6,7-dimethyl-1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]furan-2-yl]benzoate is sourced from PubChem (CID 2173771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).