6-methoxy-1,3-benzothiazole;toluene

C15H15NOS — CID 70544898

IUPAC6-methoxy-1,3-benzothiazole;toluene
SMILESCOc1ccc2ncsc2c1.Cc1ccccc1
InChIInChI=1S/C8H7NOS.C7H8/c1-10-6-2-3-7-8(4-6)11-5-9-7;1-7-5-3-2-4-6-7/h2-5H,1H3;2-6H,1H3
InChIKeyOXEGXWSEIGXBAD-UHFFFAOYSA-N
MW257.36 g/mol
LogP4.30
Rot. Bonds1

About 6-methoxy-1,3-benzothiazole;toluene

6-methoxy-1,3-benzothiazole;toluene (PubChem CID 70544898) has the molecular formula C15H15NOS and a molecular weight of 257.36 g/mol. Its IUPAC name is 6-methoxy-1,3-benzothiazole;toluene.

Molecular Properties

Compound Name6-methoxy-1,3-benzothiazole;toluene
PubChem CID70544898
Molecular FormulaC15H15NOS
Molecular Weight257.36 g/mol
Exact Mass257.09
IUPAC Name6-methoxy-1,3-benzothiazole;toluene
SMILESCOc1ccc2ncsc2c1.Cc1ccccc1
InChIInChI=1S/C8H7NOS.C7H8/c1-10-6-2-3-7-8(4-6)11-5-9-7;1-7-5-3-2-4-6-7/h2-5H,1H3;2-6H,1H3
InChIKeyOXEGXWSEIGXBAD-UHFFFAOYSA-N
XLogP4.30
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-Methoxyphenyl)benzothiazole
CID 95753
4-(Benzo(D)Thiazol-2-Ylmethoxy)-2-Methylaniline
CID 935400
2-(2-Methoxyphenyl)benzothiazole
CID 95764
6-Methoxy-2-methylbenzothiazole
CID 76254
2-{4-[2-(Piperidin-1-yl)ethyl]phenoxy}-1,3-benzothiazole
CID 11427736
2-[4-(Piperidin-1-ylmethyl)phenoxy]-1,3-benzothiazole
CID 11472798
4-(6-Methoxy-1,3-benzothiazol-2-yl)aniline
CID 391870
6-(Benzyloxy)-1,3-benzothiazole-2-sulfonamide
CID 23275795
6-Methoxy-2-(5-thiophen-2-ylthiophen-2-yl)-1,3-benzothiazole
CID 46885193
2-(3-Methoxyphenyl)-1,3-benzothiazole
CID 833673
2-Phenylbenzo[d]thiazol-6-ol
CID 10466286
4-(6-Methoxybenzo[d]thiazol-2-yl)-N,N-dimethylaniline
CID 11129817

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1,3-benzothiazole;toluene?
The IUPAC name of 6-methoxy-1,3-benzothiazole;toluene (CID 70544898) is 6-methoxy-1,3-benzothiazole;toluene.
What is the SMILES notation for 6-methoxy-1,3-benzothiazole;toluene?
The canonical SMILES for 6-methoxy-1,3-benzothiazole;toluene is COc1ccc2ncsc2c1.Cc1ccccc1.
What is the InChIKey of 6-methoxy-1,3-benzothiazole;toluene?
The InChIKey is OXEGXWSEIGXBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NOS.C7H8/c1-10-6-2-3-7-8(4-6)11-5-9-7;1-7-5-3-2-4-6-7/h2-5H,1H3;2-6H,1H3.
What are the key properties of 6-methoxy-1,3-benzothiazole;toluene?
6-methoxy-1,3-benzothiazole;toluene has a molecular weight of 257.36 g/mol, XLogP of 4.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1,3-benzothiazole;toluene is sourced from PubChem (CID 70544898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).