6-methyl-2-(4-methylphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazole

C16H12N2S2 — CID 22892825

IUPAC6-methyl-2-(4-methylphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazole
SMILESCc1ccc(-c2nc3cc4nc(C)sc4cc3s2)cc1
InChIInChI=1S/C16H12N2S2/c1-9-3-5-11(6-4-9)16-18-13-7-12-14(8-15(13)20-16)19-10(2)17-12/h3-8H,1-2H3
InChIKeyHRCYOJZXYUUJPF-UHFFFAOYSA-N
MW296.42 g/mol
LogP5.19
Rot. Bonds1

About 6-methyl-2-(4-methylphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazole

6-methyl-2-(4-methylphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazole (PubChem CID 22892825) has the molecular formula C16H12N2S2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 6-methyl-2-(4-methylphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazole.

Molecular Properties

Compound Name6-methyl-2-(4-methylphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazole
PubChem CID22892825
Molecular FormulaC16H12N2S2
Molecular Weight296.42 g/mol
Exact Mass296.04
IUPAC Name6-methyl-2-(4-methylphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazole
SMILESCc1ccc(-c2nc3cc4nc(C)sc4cc3s2)cc1
InChIInChI=1S/C16H12N2S2/c1-9-3-5-11(6-4-9)16-18-13-7-12-14(8-15(13)20-16)19-10(2)17-12/h3-8H,1-2H3
InChIKeyHRCYOJZXYUUJPF-UHFFFAOYSA-N
XLogP5.19
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.42
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-bis(4-methoxyphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazole
CID 58983612
2-(4-methylphenyl)-1,3-benzothiazol-5-amine
CID 67331050
2-(4-fluorophenyl)-6-methyl-1,3-benzothiazole
CID 25233596
2-(4-methoxyphenyl)-6-methyl-1,3-benzothiazole
CID 12939261
2-methyl-5-(6-methyl-[1,3]thiazolo[4,5-f][1,3]benzothiazol-2-yl)benzene-1,4-diol;2-methyl-5-(6-methyl-[1,3]thiazolo[5,4-f][1,3]benzothiazol-2-yl)benzene-1,4-diol
CID 157329405
6-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole
CID 126550023
2,6-bis(4-propan-2-ylphenyl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole
CID 17325445
2-methyl-1,3-benzothiazole-5,6-diamine
CID 43450604
5-methyl-2-(6-methyl-[1,3]thiazolo[5,4-f][1,3]benzothiazol-2-yl)benzenesulfonic acid
CID 20792485
2-(4-methylphenyl)-[1,3]thiazolo[5,4-c]pyridine
CID 86182025
2-[2-(4-methylphenyl)-1,3-benzothiazol-6-yl]acetic acid
CID 39105357
2-[4-[6-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]-6-methyl-1,3-benzothiazole
CID 166850337

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(4-methylphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazole?
The IUPAC name of 6-methyl-2-(4-methylphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazole (CID 22892825) is 6-methyl-2-(4-methylphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazole.
What is the SMILES notation for 6-methyl-2-(4-methylphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazole?
The canonical SMILES for 6-methyl-2-(4-methylphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazole is Cc1ccc(-c2nc3cc4nc(C)sc4cc3s2)cc1.
What is the InChIKey of 6-methyl-2-(4-methylphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazole?
The InChIKey is HRCYOJZXYUUJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2S2/c1-9-3-5-11(6-4-9)16-18-13-7-12-14(8-15(13)20-16)19-10(2)17-12/h3-8H,1-2H3.
What are the key properties of 6-methyl-2-(4-methylphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazole?
6-methyl-2-(4-methylphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazole has a molecular weight of 296.42 g/mol, XLogP of 5.19, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(4-methylphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazole is sourced from PubChem (CID 22892825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).