4-(6-methoxy-1,2-benzothiazol-7-yl)naphthalene-1-carbonitrile

C19H12N2OS — CID 131985771

IUPAC4-(6-methoxy-1,2-benzothiazol-7-yl)naphthalene-1-carbonitrile
SMILESCOc1ccc2cnsc2c1-c1ccc(C#N)c2ccccc12
InChIInChI=1S/C19H12N2OS/c1-22-17-9-7-13-11-21-23-19(13)18(17)16-8-6-12(10-20)14-4-2-3-5-15(14)16/h2-9,11H,1H3
InChIKeyRYJIHMKMLUQZCF-UHFFFAOYSA-N
MW316.39 g/mol
LogP5.00
Rot. Bonds2

About 4-(6-methoxy-1,2-benzothiazol-7-yl)naphthalene-1-carbonitrile

4-(6-methoxy-1,2-benzothiazol-7-yl)naphthalene-1-carbonitrile (PubChem CID 131985771) has the molecular formula C19H12N2OS and a molecular weight of 316.39 g/mol. Its IUPAC name is 4-(6-methoxy-1,2-benzothiazol-7-yl)naphthalene-1-carbonitrile.

Molecular Properties

Compound Name4-(6-methoxy-1,2-benzothiazol-7-yl)naphthalene-1-carbonitrile
PubChem CID131985771
Molecular FormulaC19H12N2OS
Molecular Weight316.39 g/mol
Exact Mass316.07
IUPAC Name4-(6-methoxy-1,2-benzothiazol-7-yl)naphthalene-1-carbonitrile
SMILESCOc1ccc2cnsc2c1-c1ccc(C#N)c2ccccc12
InChIInChI=1S/C19H12N2OS/c1-22-17-9-7-13-11-21-23-19(13)18(17)16-8-6-12(10-20)14-4-2-3-5-15(14)16/h2-9,11H,1H3
InChIKeyRYJIHMKMLUQZCF-UHFFFAOYSA-N
XLogP5.00
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(6-methoxy-1,2-benzothiazol-7-yl)naphthalene-1-carbonitrile 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

tert-butyl 2-[[7-(4-cyanonaphthalen-1-yl)-1,2-benzothiazol-6-yl]sulfanyl]-2-methylpropanoate
CID 131985784
7-methyl-1,2-benzothiazole-6-carbonitrile
CID 130064190
6-methoxy-7-[4-(trifluoromethoxy)phenyl]-1,2-benzothiazole
CID 131985815
O-[[7-(4-cyano-3-fluorophenyl)-1,2-benzothiazol-6-yl]] N,N-dimethylcarbamothioate
CID 142739260
4-(2-hydroxynaphthalen-1-yl)naphthalene-1-carbonitrile
CID 131985794
2-[6-methoxy-2-(trifluoromethyl)-1,3-benzothiazol-7-yl]benzonitrile
CID 175011283
6-methoxy-[1,2]thiazolo[5,4-b]pyridine-5-carbonitrile
CID 82403526
3,4-dimethoxy-2-phenylbenzonitrile
CID 67635985
4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]naphthalene-1-carbonitrile
CID 142488002
4,8-dimethoxynaphthalene-1-carbonitrile
CID 86178787
2-methoxynaphthalene-1,4-dicarbonitrile
CID 169050362
methyl 5-cyano-8-methoxynaphthalene-1-carboxylate
CID 70552913

Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxy-1,2-benzothiazol-7-yl)naphthalene-1-carbonitrile?
The IUPAC name of 4-(6-methoxy-1,2-benzothiazol-7-yl)naphthalene-1-carbonitrile (CID 131985771) is 4-(6-methoxy-1,2-benzothiazol-7-yl)naphthalene-1-carbonitrile.
What is the SMILES notation for 4-(6-methoxy-1,2-benzothiazol-7-yl)naphthalene-1-carbonitrile?
The canonical SMILES for 4-(6-methoxy-1,2-benzothiazol-7-yl)naphthalene-1-carbonitrile is COc1ccc2cnsc2c1-c1ccc(C#N)c2ccccc12.
What is the InChIKey of 4-(6-methoxy-1,2-benzothiazol-7-yl)naphthalene-1-carbonitrile?
The InChIKey is RYJIHMKMLUQZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N2OS/c1-22-17-9-7-13-11-21-23-19(13)18(17)16-8-6-12(10-20)14-4-2-3-5-15(14)16/h2-9,11H,1H3.
What are the key properties of 4-(6-methoxy-1,2-benzothiazol-7-yl)naphthalene-1-carbonitrile?
4-(6-methoxy-1,2-benzothiazol-7-yl)naphthalene-1-carbonitrile has a molecular weight of 316.39 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxy-1,2-benzothiazol-7-yl)naphthalene-1-carbonitrile is sourced from PubChem (CID 131985771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).