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

C15H13NOS — CID 132508289

IUPAC2-(2-methoxy-6-methylphenyl)-1,3-benzothiazole
SMILESCOc1cccc(C)c1-c1nc2ccccc2s1
InChIInChI=1S/C15H13NOS/c1-10-6-5-8-12(17-2)14(10)15-16-11-7-3-4-9-13(11)18-15/h3-9H,1-2H3
InChIKeyBHCLJQRIMABKJT-UHFFFAOYSA-N
MW255.34 g/mol
LogP4.28
Rot. Bonds2

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

2-(2-methoxy-6-methylphenyl)-1,3-benzothiazole (PubChem CID 132508289) has the molecular formula C15H13NOS and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-(2-methoxy-6-methylphenyl)-1,3-benzothiazole.

Molecular Properties

Compound Name2-(2-methoxy-6-methylphenyl)-1,3-benzothiazole
PubChem CID132508289
Molecular FormulaC15H13NOS
Molecular Weight255.34 g/mol
Exact Mass255.07
IUPAC Name2-(2-methoxy-6-methylphenyl)-1,3-benzothiazole
SMILESCOc1cccc(C)c1-c1nc2ccccc2s1
InChIInChI=1S/C15H13NOS/c1-10-6-5-8-12(17-2)14(10)15-16-11-7-3-4-9-13(11)18-15/h3-9H,1-2H3
InChIKeyBHCLJQRIMABKJT-UHFFFAOYSA-N
XLogP4.28
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 54.28
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
2-(Phenoxymethyl)-1,3-benzothiazole
CID 700590
4-(Benzo(D)Thiazol-2-Ylmethoxy)-2-Methylaniline
CID 935400
GW-610
CID 6712941
2-(1,3-Benzodioxol-5-yl)-1,3-benzothiazole
CID 781196
2-(2'-Hydroxy-3'-methoxyphenyl)benzothiazole
CID 95754
2-(2-Methoxyphenyl)benzothiazole
CID 95764
3-(2-Benzothiazolyl)coumarin
CID 395989
6-Methoxy-2-methylbenzothiazole
CID 76254
2-{4-[2-(Piperidin-1-yl)ethyl]phenoxy}-1,3-benzothiazole
CID 11427736
4-(6-Methoxy-1,3-benzothiazol-2-yl)aniline
CID 391870

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-6-methylphenyl)-1,3-benzothiazole?
The IUPAC name of 2-(2-methoxy-6-methylphenyl)-1,3-benzothiazole (CID 132508289) is 2-(2-methoxy-6-methylphenyl)-1,3-benzothiazole.
What is the SMILES notation for 2-(2-methoxy-6-methylphenyl)-1,3-benzothiazole?
The canonical SMILES for 2-(2-methoxy-6-methylphenyl)-1,3-benzothiazole is COc1cccc(C)c1-c1nc2ccccc2s1.
What is the InChIKey of 2-(2-methoxy-6-methylphenyl)-1,3-benzothiazole?
The InChIKey is BHCLJQRIMABKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NOS/c1-10-6-5-8-12(17-2)14(10)15-16-11-7-3-4-9-13(11)18-15/h3-9H,1-2H3.
What are the key properties of 2-(2-methoxy-6-methylphenyl)-1,3-benzothiazole?
2-(2-methoxy-6-methylphenyl)-1,3-benzothiazole has a molecular weight of 255.34 g/mol, XLogP of 4.28, 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)-1,3-benzothiazole is sourced from PubChem (CID 132508289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).