2,6-bis(4-methylthiophen-2-yl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole

C18H12N2S4 — CID 102344433

IUPAC2,6-bis(4-methylthiophen-2-yl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole
SMILESCc1csc(-c2nc3cc4sc(-c5cc(C)cs5)nc4cc3s2)c1
InChIInChI=1S/C18H12N2S4/c1-9-3-15(21-7-9)17-19-11-5-14-12(6-13(11)23-17)20-18(24-14)16-4-10(2)8-22-16/h3-8H,1-2H3
InChIKeyXWTXZKKGFCAQPY-UHFFFAOYSA-N
MW384.58 g/mol
LogP6.98
Rot. Bonds2

About 2,6-bis(4-methylthiophen-2-yl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole

2,6-bis(4-methylthiophen-2-yl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole (PubChem CID 102344433) has the molecular formula C18H12N2S4 and a molecular weight of 384.58 g/mol. Its IUPAC name is 2,6-bis(4-methylthiophen-2-yl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole.

Molecular Properties

Compound Name2,6-bis(4-methylthiophen-2-yl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole
PubChem CID102344433
Molecular FormulaC18H12N2S4
Molecular Weight384.58 g/mol
Exact Mass383.99
IUPAC Name2,6-bis(4-methylthiophen-2-yl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole
SMILESCc1csc(-c2nc3cc4sc(-c5cc(C)cs5)nc4cc3s2)c1
InChIInChI=1S/C18H12N2S4/c1-9-3-15(21-7-9)17-19-11-5-14-12(6-13(11)23-17)20-18(24-14)16-4-10(2)8-22-16/h3-8H,1-2H3
InChIKeyXWTXZKKGFCAQPY-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-bis(4-methylthiophen-2-yl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-bis(3-methylthiophen-2-yl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole
CID 146695728
2-(4-methylthiophen-2-yl)-5-[5-[5-[5-(4-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 11752772
2,5-bis(4-methylthiophen-2-yl)thiophene
CID 11097816
6-methyl-2-(4-methylphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazole
CID 22892825
2,6-bis(3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole
CID 170275150
2,7-bis(5-pyridin-4-ylthiophen-2-yl)-[1,3]benzothiazolo[6,5-f][1,3]benzothiazole
CID 169314021
2,6-bis(4-propan-2-ylphenyl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole
CID 17325445
2,6-bis[4-[6-[4-([1,3]thiazolo[5,4-f][1,3]benzothiazol-2-yl)phenyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-2-yl]phenyl]-[1,3]thiazolo[5,4-f][1,3]benzothiazole
CID 101175116
1,1,1-trifluoro-3-[4-(4-methylthiophen-2-yl)-1,3-thiazol-2-yl]propan-2-one
CID 159754187
5-(5-methyl-1,3-benzothiazol-2-yl)-1H-pyrazol-3-amine
CID 64526919
[4-(6-methyl-1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]methanamine
CID 79142702
2-(4-methylphenyl)-1,3-benzothiazol-5-amine
CID 67331050

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(4-methylthiophen-2-yl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole?
The IUPAC name of 2,6-bis(4-methylthiophen-2-yl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole (CID 102344433) is 2,6-bis(4-methylthiophen-2-yl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole.
What is the SMILES notation for 2,6-bis(4-methylthiophen-2-yl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole?
The canonical SMILES for 2,6-bis(4-methylthiophen-2-yl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole is Cc1csc(-c2nc3cc4sc(-c5cc(C)cs5)nc4cc3s2)c1.
What is the InChIKey of 2,6-bis(4-methylthiophen-2-yl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole?
The InChIKey is XWTXZKKGFCAQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2S4/c1-9-3-15(21-7-9)17-19-11-5-14-12(6-13(11)23-17)20-18(24-14)16-4-10(2)8-22-16/h3-8H,1-2H3.
What are the key properties of 2,6-bis(4-methylthiophen-2-yl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole?
2,6-bis(4-methylthiophen-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-bis(4-methylthiophen-2-yl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole is sourced from PubChem (CID 102344433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).