2-(4-methylphenyl)-1,3-benzothiazole

C14H11NS — CID 919385

IUPAC2-(4-methylphenyl)-1,3-benzothiazole
SMILESCc1ccc(-c2nc3ccccc3s2)cc1
InChIInChI=1S/C14H11NS/c1-10-6-8-11(9-7-10)14-15-12-4-2-3-5-13(12)16-14/h2-9H,1H3
InChIKeyJVPGYYNQTPWXGE-UHFFFAOYSA-N
MW225.32 g/mol
LogP4.27
Rot. Bonds1

About 2-(4-methylphenyl)-1,3-benzothiazole

2-(4-methylphenyl)-1,3-benzothiazole (PubChem CID 919385) has the molecular formula C14H11NS and a molecular weight of 225.32 g/mol. Its IUPAC name is 2-(4-methylphenyl)-1,3-benzothiazole.

Molecular Properties

Compound Name2-(4-methylphenyl)-1,3-benzothiazole
PubChem CID919385
Molecular FormulaC14H11NS
Molecular Weight225.32 g/mol
Exact Mass225.06
IUPAC Name2-(4-methylphenyl)-1,3-benzothiazole
SMILESCc1ccc(-c2nc3ccccc3s2)cc1
InChIInChI=1S/C14H11NS/c1-10-6-8-11(9-7-10)14-15-12-4-2-3-5-13(12)16-14/h2-9H,1H3
InChIKeyJVPGYYNQTPWXGE-UHFFFAOYSA-N
XLogP4.27
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Accelerator DM
CID 8447
2-(Thiocyanomethylthio)benzothiazole
CID 30692
Sodium 2-mercaptobenzothiazole
CID 3714831
2-(Methylthio)benzothiazole
CID 11989
N-(1,1-Dimethylethyl)-2-benzothiazolesulfenamide
CID 7230
2-Methylbenzothiazole
CID 8446
2-(p-Dimethylaminostyryl)benzothiazole
CID 5378081
Thioflavin T
CID 16953
Fostedil
CID 53421
2-Benzothiazolyl diethyldithiocarbamate
CID 7229
2-(4-Aminophenyl)-6-methylbenzothiazole
CID 7087
4-(1,3-Benzothiazol-2-Yl)-2-Methylaniline
CID 384525

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-1,3-benzothiazole?
The IUPAC name of 2-(4-methylphenyl)-1,3-benzothiazole (CID 919385) is 2-(4-methylphenyl)-1,3-benzothiazole.
What is the SMILES notation for 2-(4-methylphenyl)-1,3-benzothiazole?
The canonical SMILES for 2-(4-methylphenyl)-1,3-benzothiazole is Cc1ccc(-c2nc3ccccc3s2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-1,3-benzothiazole?
The InChIKey is JVPGYYNQTPWXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NS/c1-10-6-8-11(9-7-10)14-15-12-4-2-3-5-13(12)16-14/h2-9H,1H3.
What are the key properties of 2-(4-methylphenyl)-1,3-benzothiazole?
2-(4-methylphenyl)-1,3-benzothiazole has a molecular weight of 225.32 g/mol, XLogP of 4.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-1,3-benzothiazole is sourced from PubChem (CID 919385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).