5,6-dimethyl-2-(thiophen-2-ylmethylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one

C16H12N2OS2 — CID 699149

IUPAC5,6-dimethyl-2-(thiophen-2-ylmethylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SMILESCc1ccc2c(nc3sc(=Cc4cccs4)c(=O)n32)c1C
InChIInChI=1S/C16H12N2OS2/c1-9-5-6-12-14(10(9)2)17-16-18(12)15(19)13(21-16)8-11-4-3-7-20-11/h3-8H,1-2H3
InChIKeyATANZVRCAPIFNR-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.14
Rot. Bonds1

About 5,6-dimethyl-2-(thiophen-2-ylmethylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one

5,6-dimethyl-2-(thiophen-2-ylmethylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one (PubChem CID 699149) has the molecular formula C16H12N2OS2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 5,6-dimethyl-2-(thiophen-2-ylmethylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one.

Molecular Properties

Compound Name5,6-dimethyl-2-(thiophen-2-ylmethylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one
PubChem CID699149
Molecular FormulaC16H12N2OS2
Molecular Weight312.42 g/mol
Exact Mass312.04
IUPAC Name5,6-dimethyl-2-(thiophen-2-ylmethylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SMILESCc1ccc2c(nc3sc(=Cc4cccs4)c(=O)n32)c1C
InChIInChI=1S/C16H12N2OS2/c1-9-5-6-12-14(10(9)2)17-16-18(12)15(19)13(21-16)8-11-4-3-7-20-11/h3-8H,1-2H3
InChIKeyATANZVRCAPIFNR-UHFFFAOYSA-N
XLogP3.14
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2E)-2-[(4-fluorophenyl)methylidene]-5,6-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 2055355
(2Z)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-5,6-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 2276573
(6Z)-3-methyl-6-(thiophen-2-ylmethylidene)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 5420518
2-[5-[(5,6-dimethyl-1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]furan-2-yl]benzoic acid
CID 1252531
(6E)-3-phenyl-6-(thiophen-2-ylmethylidene)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 2033029
2-[(2,4-dimorpholin-4-yl-5-nitrophenyl)methylidene]-5,6-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 6737878
(5Z)-2-(4-methylphenyl)-5-(thiophen-2-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 2139191
(5Z)-5-(thiophen-2-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 754577
(2E)-2-[[4-[(6-chloro-1,3-benzodioxol-5-yl)methoxy]-3-ethoxyphenyl]methylidene]-5,6-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 11839112
2-[(2-chlorophenyl)methylidene]-6,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 803117
2-(4-methoxyphenyl)-5-(thiophen-2-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 696170
5-methyl-2-[(1-methyl-2-phenylindol-3-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 2902320

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-(thiophen-2-ylmethylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The IUPAC name of 5,6-dimethyl-2-(thiophen-2-ylmethylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one (CID 699149) is 5,6-dimethyl-2-(thiophen-2-ylmethylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one.
What is the SMILES notation for 5,6-dimethyl-2-(thiophen-2-ylmethylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The canonical SMILES for 5,6-dimethyl-2-(thiophen-2-ylmethylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one is Cc1ccc2c(nc3sc(=Cc4cccs4)c(=O)n32)c1C.
What is the InChIKey of 5,6-dimethyl-2-(thiophen-2-ylmethylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The InChIKey is ATANZVRCAPIFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2OS2/c1-9-5-6-12-14(10(9)2)17-16-18(12)15(19)13(21-16)8-11-4-3-7-20-11/h3-8H,1-2H3.
What are the key properties of 5,6-dimethyl-2-(thiophen-2-ylmethylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
5,6-dimethyl-2-(thiophen-2-ylmethylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one has a molecular weight of 312.42 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-(thiophen-2-ylmethylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one is sourced from PubChem (CID 699149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).