6,7-dimethyl-2-(1-methyl-2-oxoindol-3-ylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one

C20H15N3O2S — CID 23823031

IUPAC6,7-dimethyl-2-(1-methyl-2-oxoindol-3-ylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SMILESCc1cc2nc3sc(=C4C(=O)N(C)c5ccccc54)c(=O)n3c2cc1C
InChIInChI=1S/C20H15N3O2S/c1-10-8-13-15(9-11(10)2)23-19(25)17(26-20(23)21-13)16-12-6-4-5-7-14(12)22(3)18(16)24/h4-9H,1-3H3
InChIKeyYCYFAVXAYSYGJP-UHFFFAOYSA-N
MW361.43 g/mol
LogP2.42
Rot. Bonds

About 6,7-dimethyl-2-(1-methyl-2-oxoindol-3-ylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one

6,7-dimethyl-2-(1-methyl-2-oxoindol-3-ylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one (PubChem CID 23823031) has the molecular formula C20H15N3O2S and a molecular weight of 361.43 g/mol. Its IUPAC name is 6,7-dimethyl-2-(1-methyl-2-oxoindol-3-ylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one.

Molecular Properties

Compound Name6,7-dimethyl-2-(1-methyl-2-oxoindol-3-ylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one
PubChem CID23823031
Molecular FormulaC20H15N3O2S
Molecular Weight361.43 g/mol
Exact Mass361.09
IUPAC Name6,7-dimethyl-2-(1-methyl-2-oxoindol-3-ylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SMILESCc1cc2nc3sc(=C4C(=O)N(C)c5ccccc54)c(=O)n3c2cc1C
InChIInChI=1S/C20H15N3O2S/c1-10-8-13-15(9-11(10)2)23-19(25)17(26-20(23)21-13)16-12-6-4-5-7-14(12)22(3)18(16)24/h4-9H,1-3H3
InChIKeyYCYFAVXAYSYGJP-UHFFFAOYSA-N
XLogP2.42
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5Z)-5-(1-methyl-2-oxoindol-3-ylidene)-2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 2001390
2-(1-methyl-2-oxoindol-3-ylidene)-5,6-diphenylimidazo[2,1-b][1,3]thiazol-3-one
CID 1345534
2-(1-acetyl-2-oxoindol-3-ylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 3336449
5-(1-methyl-2-oxoindol-3-ylidene)-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 1286559
ethyl 2-[2-oxo-3-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)indol-1-yl]acetate
CID 1051154
(2Z)-2-(1-methyl-2-oxoindol-3-ylidene)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
CID 2186518
methyl 2-[2-oxo-3-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)indol-1-yl]acetate
CID 23912323
2-(3-chlorophenyl)-5-(1-methyl-2-oxoindol-3-ylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 5113762
(2Z)-2-[1-[(4-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 1328067
2-[(2-chlorophenyl)methylidene]-6,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 803117
2-[5-[(Z)-(6,7-dimethyl-1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]furan-2-yl]benzoate
CID 2173771
2-(5-bromo-1-methyl-2-oxoindol-3-ylidene)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
CID 4500339

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-2-(1-methyl-2-oxoindol-3-ylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The IUPAC name of 6,7-dimethyl-2-(1-methyl-2-oxoindol-3-ylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one (CID 23823031) is 6,7-dimethyl-2-(1-methyl-2-oxoindol-3-ylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one.
What is the SMILES notation for 6,7-dimethyl-2-(1-methyl-2-oxoindol-3-ylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The canonical SMILES for 6,7-dimethyl-2-(1-methyl-2-oxoindol-3-ylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one is Cc1cc2nc3sc(=C4C(=O)N(C)c5ccccc54)c(=O)n3c2cc1C.
What is the InChIKey of 6,7-dimethyl-2-(1-methyl-2-oxoindol-3-ylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The InChIKey is YCYFAVXAYSYGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2S/c1-10-8-13-15(9-11(10)2)23-19(25)17(26-20(23)21-13)16-12-6-4-5-7-14(12)22(3)18(16)24/h4-9H,1-3H3.
What are the key properties of 6,7-dimethyl-2-(1-methyl-2-oxoindol-3-ylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
6,7-dimethyl-2-(1-methyl-2-oxoindol-3-ylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one has a molecular weight of 361.43 g/mol, XLogP of 2.42, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-2-(1-methyl-2-oxoindol-3-ylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one is sourced from PubChem (CID 23823031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).