N-[(2Z)-1-oxo-2-[(3,4,5-trimethoxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-7-yl]acetamide

C21H19N3O5S — CID 162655889

IUPACN-[(2Z)-1-oxo-2-[(3,4,5-trimethoxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-7-yl]acetamide
SMILESCOc1cc(/C=c2\sc3nc4ccc(NC(C)=O)cc4n3c2=O)cc(OC)c1OC
InChIInChI=1S/C21H19N3O5S/c1-11(25)22-13-5-6-14-15(10-13)24-20(26)18(30-21(24)23-14)9-12-7-16(27-2)19(29-4)17(8-12)28-3/h5-10H,1-4H3,(H,22,25)/b18-9-
InChIKeyUOHQSYSWVJOIOT-NVMNQCDNSA-N
MW425.47 g/mol
LogP2.44
Rot. Bonds5

About N-[(2Z)-1-oxo-2-[(3,4,5-trimethoxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-7-yl]acetamide

N-[(2Z)-1-oxo-2-[(3,4,5-trimethoxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-7-yl]acetamide (PubChem CID 162655889) has the molecular formula C21H19N3O5S and a molecular weight of 425.47 g/mol. Its IUPAC name is N-[(2Z)-1-oxo-2-[(3,4,5-trimethoxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-7-yl]acetamide.

Molecular Properties

Compound NameN-[(2Z)-1-oxo-2-[(3,4,5-trimethoxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-7-yl]acetamide
PubChem CID162655889
Molecular FormulaC21H19N3O5S
Molecular Weight425.47 g/mol
Exact Mass425.10
IUPAC NameN-[(2Z)-1-oxo-2-[(3,4,5-trimethoxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-7-yl]acetamide
SMILESCOc1cc(/C=c2\sc3nc4ccc(NC(C)=O)cc4n3c2=O)cc(OC)c1OC
InChIInChI=1S/C21H19N3O5S/c1-11(25)22-13-5-6-14-15(10-13)24-20(26)18(30-21(24)23-14)9-12-7-16(27-2)19(29-4)17(8-12)28-3/h5-10H,1-4H3,(H,22,25)/b18-9-
InChIKeyUOHQSYSWVJOIOT-NVMNQCDNSA-N
XLogP2.44
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.47
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 1128770
[4-[(6,7-dimethyl-1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]-2,6-dimethoxyphenyl] acetate
CID 1239096
(2E)-2-[(3,4-dimethoxyphenyl)methylidene]-6,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 2256910
(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 668008
2-benzylidene-6,7-dimethoxy-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 3308816
(2Z)-2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 1102871
(2Z)-2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 46498355
(2E)-2-[(4-ethoxy-3-iodo-5-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 5441543
2-[2-chloro-6-methoxy-4-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]acetic acid
CID 124604684
[2,6-dimethoxy-4-[(Z)-(5-methyl-1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenyl] acetate
CID 5291923
N-(3,4-dimethylphenyl)-2-[2-methoxy-4-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]acetamide
CID 1239216
[2-methoxy-4-[(Z)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenyl] benzoate
CID 124544960

Frequently Asked Questions

What is the IUPAC name of N-[(2Z)-1-oxo-2-[(3,4,5-trimethoxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-7-yl]acetamide?
The IUPAC name of N-[(2Z)-1-oxo-2-[(3,4,5-trimethoxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-7-yl]acetamide (CID 162655889) is N-[(2Z)-1-oxo-2-[(3,4,5-trimethoxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-7-yl]acetamide.
What is the SMILES notation for N-[(2Z)-1-oxo-2-[(3,4,5-trimethoxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-7-yl]acetamide?
The canonical SMILES for N-[(2Z)-1-oxo-2-[(3,4,5-trimethoxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-7-yl]acetamide is COc1cc(/C=c2\sc3nc4ccc(NC(C)=O)cc4n3c2=O)cc(OC)c1OC.
What is the InChIKey of N-[(2Z)-1-oxo-2-[(3,4,5-trimethoxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-7-yl]acetamide?
The InChIKey is UOHQSYSWVJOIOT-NVMNQCDNSA-N. The full InChI is InChI=1S/C21H19N3O5S/c1-11(25)22-13-5-6-14-15(10-13)24-20(26)18(30-21(24)23-14)9-12-7-16(27-2)19(29-4)17(8-12)28-3/h5-10H,1-4H3,(H,22,25)/b18-9-.
What are the key properties of N-[(2Z)-1-oxo-2-[(3,4,5-trimethoxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-7-yl]acetamide?
N-[(2Z)-1-oxo-2-[(3,4,5-trimethoxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-7-yl]acetamide has a molecular weight of 425.47 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z)-1-oxo-2-[(3,4,5-trimethoxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-7-yl]acetamide is sourced from PubChem (CID 162655889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).