2,6-dimethyl-4,8-dithiophen-2-yl-[1,3]thiazolo[5,4-f][1,3]benzothiazole

C18H12N2S4 — CID 102344435

IUPAC2,6-dimethyl-4,8-dithiophen-2-yl-[1,3]thiazolo[5,4-f][1,3]benzothiazole
SMILESCc1nc2c(-c3cccs3)c3sc(C)nc3c(-c3cccs3)c2s1
InChIInChI=1S/C18H12N2S4/c1-9-19-15-13(11-5-3-7-21-11)18-16(20-10(2)24-18)14(17(15)23-9)12-6-4-8-22-12/h3-8H,1-2H3
InChIKeyGUXBMLQLGLKSJG-UHFFFAOYSA-N
MW384.58 g/mol
LogP6.98
Rot. Bonds2

About 2,6-dimethyl-4,8-dithiophen-2-yl-[1,3]thiazolo[5,4-f][1,3]benzothiazole

2,6-dimethyl-4,8-dithiophen-2-yl-[1,3]thiazolo[5,4-f][1,3]benzothiazole (PubChem CID 102344435) has the molecular formula C18H12N2S4 and a molecular weight of 384.58 g/mol. Its IUPAC name is 2,6-dimethyl-4,8-dithiophen-2-yl-[1,3]thiazolo[5,4-f][1,3]benzothiazole.

Molecular Properties

Compound Name2,6-dimethyl-4,8-dithiophen-2-yl-[1,3]thiazolo[5,4-f][1,3]benzothiazole
PubChem CID102344435
Molecular FormulaC18H12N2S4
Molecular Weight384.58 g/mol
Exact Mass383.99
IUPAC Name2,6-dimethyl-4,8-dithiophen-2-yl-[1,3]thiazolo[5,4-f][1,3]benzothiazole
SMILESCc1nc2c(-c3cccs3)c3sc(C)nc3c(-c3cccs3)c2s1
InChIInChI=1S/C18H12N2S4/c1-9-19-15-13(11-5-3-7-21-11)18-16(20-10(2)24-18)14(17(15)23-9)12-6-4-8-22-12/h3-8H,1-2H3
InChIKeyGUXBMLQLGLKSJG-UHFFFAOYSA-N
XLogP6.98
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.58
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,6-dimethyl-4,8-dithiophen-2-yl-[1,3]thiazolo[5,4-f][1,3]benzothiazole with MolForge

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Related Compounds

4,8-dithiophen-2-yl-[1,3]thiazolo[5,4-f][1,3]benzothiazole
CID 175819030
6,7-dimethyl-4,9-dithiophen-2-yl-[1,2,5]thiadiazolo[3,4-g]quinoxaline
CID 50992957
2-(2,6-dimethylphenyl)thiophene
CID 58838883
2-methyl-4-(2-phenylethylsulfanyl)-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazine
CID 16858323
2-methyl-5-[(1R)-1-phenylethyl]-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-4-one
CID 40884977
2-methyl-5-thiophen-2-yl-1,3-thiazole-4-carboxylic acid
CID 53271804
2,3-dimethyl-5,8-bis(5-thiophen-2-ylthiophen-2-yl)quinoxaline
CID 101404191
6-(4-methylphenyl)-4,7-dithiophen-2-yl-[1,2,5]oxadiazolo[3,4-c]pyridine
CID 101079805
4-[(3-fluorophenyl)methylsulfanyl]-2-methyl-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazine
CID 16858269
2-methyl-5-thiophen-2-ylpyrimidine
CID 54054310
2,5-dithiophen-2-ylthiophene;ethane
CID 169103820
2-methyl-5-thiophen-2-ylthiophene;propane
CID 142257628

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4,8-dithiophen-2-yl-[1,3]thiazolo[5,4-f][1,3]benzothiazole?
The IUPAC name of 2,6-dimethyl-4,8-dithiophen-2-yl-[1,3]thiazolo[5,4-f][1,3]benzothiazole (CID 102344435) is 2,6-dimethyl-4,8-dithiophen-2-yl-[1,3]thiazolo[5,4-f][1,3]benzothiazole.
What is the SMILES notation for 2,6-dimethyl-4,8-dithiophen-2-yl-[1,3]thiazolo[5,4-f][1,3]benzothiazole?
The canonical SMILES for 2,6-dimethyl-4,8-dithiophen-2-yl-[1,3]thiazolo[5,4-f][1,3]benzothiazole is Cc1nc2c(-c3cccs3)c3sc(C)nc3c(-c3cccs3)c2s1.
What is the InChIKey of 2,6-dimethyl-4,8-dithiophen-2-yl-[1,3]thiazolo[5,4-f][1,3]benzothiazole?
The InChIKey is GUXBMLQLGLKSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2S4/c1-9-19-15-13(11-5-3-7-21-11)18-16(20-10(2)24-18)14(17(15)23-9)12-6-4-8-22-12/h3-8H,1-2H3.
What are the key properties of 2,6-dimethyl-4,8-dithiophen-2-yl-[1,3]thiazolo[5,4-f][1,3]benzothiazole?
2,6-dimethyl-4,8-dithiophen-2-yl-[1,3]thiazolo[5,4-f][1,3]benzothiazole has a molecular weight of 384.58 g/mol, XLogP of 6.98, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4,8-dithiophen-2-yl-[1,3]thiazolo[5,4-f][1,3]benzothiazole is sourced from PubChem (CID 102344435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).