5-methoxybenzo[g][2,1]benzothiazole

C12H9NOS — CID 151898033

IUPAC5-methoxybenzo[g][2,1]benzothiazole
SMILESCOc1cc2csnc2c2ccccc12
InChIInChI=1S/C12H9NOS/c1-14-11-6-8-7-15-13-12(8)10-5-3-2-4-9(10)11/h2-7H,1H3
InChIKeySSDWGKMYLWIXIC-UHFFFAOYSA-N
MW215.28 g/mol
LogP3.46
Rot. Bonds1

About 5-methoxybenzo[g][2,1]benzothiazole

5-methoxybenzo[g][2,1]benzothiazole (PubChem CID 151898033) has the molecular formula C12H9NOS and a molecular weight of 215.28 g/mol. Its IUPAC name is 5-methoxybenzo[g][2,1]benzothiazole.

Molecular Properties

Compound Name5-methoxybenzo[g][2,1]benzothiazole
PubChem CID151898033
Molecular FormulaC12H9NOS
Molecular Weight215.28 g/mol
Exact Mass215.04
IUPAC Name5-methoxybenzo[g][2,1]benzothiazole
SMILESCOc1cc2csnc2c2ccccc12
InChIInChI=1S/C12H9NOS/c1-14-11-6-8-7-15-13-12(8)10-5-3-2-4-9(10)11/h2-7H,1H3
InChIKeySSDWGKMYLWIXIC-UHFFFAOYSA-N
XLogP3.46
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-methoxybenzo[g][2,1]benzothiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

11,15-dimethoxy-2,13-diazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene
CID 102337988
5-methoxybenzo[c]phenanthrene
CID 621003
5-methyl-[1,2]thiazolo[3,4-e][2,1]benzothiazole
CID 12645050
6-methoxy-4-methylbenzo[h]quinoline
CID 11009579
6-methoxychrysene
CID 12935769
2,4-dimethoxynaphthalen-1-ol
CID 12563547
1-(2,3-dimethoxynaphthalen-1-yl)-4-[4-[4-[4-[4-[4-(2,3-dimethoxynaphthalen-1-yl)-2,3-dimethoxynaphthalen-1-yl]-2,3-dimethoxynaphthalen-1-yl]-2,3-dimethoxynaphthalen-1-yl]-2,3-dimethoxynaphthalen-1-yl]-2,3-dimethoxynaphthalen-1-yl]-2,3-dimethoxynaphthalene
CID 102019300
5-methoxy-N-(2-methoxyethyl)benzo[e][1,3]benzothiazol-2-amine
CID 82548972
8,9-dimethoxy-6-methylphenanthridine
CID 135040288
1,4-dimethoxy-2-(2-methoxyphenyl)naphthalene
CID 161363992
1-methoxy-3-(4-methoxynaphthalen-2-yl)oxynaphthalene
CID 21195641
1-chloro-9-methoxyphenanthrene
CID 174558891

Frequently Asked Questions

What is the IUPAC name of 5-methoxybenzo[g][2,1]benzothiazole?
The IUPAC name of 5-methoxybenzo[g][2,1]benzothiazole (CID 151898033) is 5-methoxybenzo[g][2,1]benzothiazole.
What is the SMILES notation for 5-methoxybenzo[g][2,1]benzothiazole?
The canonical SMILES for 5-methoxybenzo[g][2,1]benzothiazole is COc1cc2csnc2c2ccccc12.
What is the InChIKey of 5-methoxybenzo[g][2,1]benzothiazole?
The InChIKey is SSDWGKMYLWIXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NOS/c1-14-11-6-8-7-15-13-12(8)10-5-3-2-4-9(10)11/h2-7H,1H3.
What are the key properties of 5-methoxybenzo[g][2,1]benzothiazole?
5-methoxybenzo[g][2,1]benzothiazole has a molecular weight of 215.28 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxybenzo[g][2,1]benzothiazole is sourced from PubChem (CID 151898033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).