2-(2-methoxy-6-methylphenyl)-6-methyl-1,3-benzothiazole

C16H15NOS — CID 132508292

IUPAC2-(2-methoxy-6-methylphenyl)-6-methyl-1,3-benzothiazole
SMILESCOc1cccc(C)c1-c1nc2ccc(C)cc2s1
InChIInChI=1S/C16H15NOS/c1-10-7-8-12-14(9-10)19-16(17-12)15-11(2)5-4-6-13(15)18-3/h4-9H,1-3H3
InChIKeyNFYPFHJDXLBSCS-UHFFFAOYSA-N
MW269.37 g/mol
LogP4.59
Rot. Bonds2

About 2-(2-methoxy-6-methylphenyl)-6-methyl-1,3-benzothiazole

2-(2-methoxy-6-methylphenyl)-6-methyl-1,3-benzothiazole (PubChem CID 132508292) has the molecular formula C16H15NOS and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-(2-methoxy-6-methylphenyl)-6-methyl-1,3-benzothiazole.

Molecular Properties

Compound Name2-(2-methoxy-6-methylphenyl)-6-methyl-1,3-benzothiazole
PubChem CID132508292
Molecular FormulaC16H15NOS
Molecular Weight269.37 g/mol
Exact Mass269.09
IUPAC Name2-(2-methoxy-6-methylphenyl)-6-methyl-1,3-benzothiazole
SMILESCOc1cccc(C)c1-c1nc2ccc(C)cc2s1
InChIInChI=1S/C16H15NOS/c1-10-7-8-12-14(9-10)19-16(17-12)15-11(2)5-4-6-13(15)18-3/h4-9H,1-3H3
InChIKeyNFYPFHJDXLBSCS-UHFFFAOYSA-N
XLogP4.59
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2'-Hydroxyphenyl)benzothiazole
CID 18874
2-(4-Methoxyphenyl)benzothiazole
CID 95753
GW-610
CID 6712941
2-(2'-Hydroxy-3'-methoxyphenyl)benzothiazole
CID 95754
2-(2-Methoxyphenyl)benzothiazole
CID 95764
4-(6-Methoxy-1,3-benzothiazol-2-yl)aniline
CID 391870
4-(6-Methoxybenzo[d]thiazol-2-yl)-N,N-dimethylaniline
CID 11129817
Benzothiazole, 6-methoxy-2,5-dimethyl-
CID 114285
2-(2-Fluorophenyl)-6-Methoxy-1,3-Benzothiazole
CID 25232189
3-Iodo-4-(6-methoxy-1,3-benzothiazol-2-yl)aniline
CID 44342240
2-(3,4-Dimethoxyphenyl)benzothiazole
CID 241105
5-Fluoro-2-(3,5-dimethoxyphenyl)benzothiazole
CID 404996

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-6-methylphenyl)-6-methyl-1,3-benzothiazole?
The IUPAC name of 2-(2-methoxy-6-methylphenyl)-6-methyl-1,3-benzothiazole (CID 132508292) is 2-(2-methoxy-6-methylphenyl)-6-methyl-1,3-benzothiazole.
What is the SMILES notation for 2-(2-methoxy-6-methylphenyl)-6-methyl-1,3-benzothiazole?
The canonical SMILES for 2-(2-methoxy-6-methylphenyl)-6-methyl-1,3-benzothiazole is COc1cccc(C)c1-c1nc2ccc(C)cc2s1.
What is the InChIKey of 2-(2-methoxy-6-methylphenyl)-6-methyl-1,3-benzothiazole?
The InChIKey is NFYPFHJDXLBSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NOS/c1-10-7-8-12-14(9-10)19-16(17-12)15-11(2)5-4-6-13(15)18-3/h4-9H,1-3H3.
What are the key properties of 2-(2-methoxy-6-methylphenyl)-6-methyl-1,3-benzothiazole?
2-(2-methoxy-6-methylphenyl)-6-methyl-1,3-benzothiazole has a molecular weight of 269.37 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-6-methylphenyl)-6-methyl-1,3-benzothiazole is sourced from PubChem (CID 132508292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).