6-methoxy-2-(naphthalen-1-ylmethyl)-1,3-benzothiazole

C19H15NOS — CID 57312880

IUPAC6-methoxy-2-(naphthalen-1-ylmethyl)-1,3-benzothiazole
SMILESCOc1ccc2nc(Cc3cccc4ccccc34)sc2c1
InChIInChI=1S/C19H15NOS/c1-21-15-9-10-17-18(12-15)22-19(20-17)11-14-7-4-6-13-5-2-3-8-16(13)14/h2-10,12H,11H2,1H3
InChIKeyKBQZZKWERQLHJC-UHFFFAOYSA-N
MW305.40 g/mol
LogP5.05
Rot. Bonds3

About 6-methoxy-2-(naphthalen-1-ylmethyl)-1,3-benzothiazole

6-methoxy-2-(naphthalen-1-ylmethyl)-1,3-benzothiazole (PubChem CID 57312880) has the molecular formula C19H15NOS and a molecular weight of 305.40 g/mol. Its IUPAC name is 6-methoxy-2-(naphthalen-1-ylmethyl)-1,3-benzothiazole.

Molecular Properties

Compound Name6-methoxy-2-(naphthalen-1-ylmethyl)-1,3-benzothiazole
PubChem CID57312880
Molecular FormulaC19H15NOS
Molecular Weight305.40 g/mol
Exact Mass305.09
IUPAC Name6-methoxy-2-(naphthalen-1-ylmethyl)-1,3-benzothiazole
SMILESCOc1ccc2nc(Cc3cccc4ccccc34)sc2c1
InChIInChI=1S/C19H15NOS/c1-21-15-9-10-17-18(12-15)22-19(20-17)11-14-7-4-6-13-5-2-3-8-16(13)14/h2-10,12H,11H2,1H3
InChIKeyKBQZZKWERQLHJC-UHFFFAOYSA-N
XLogP5.05
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.40
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2-bromoethoxy)-2-(naphthalen-1-ylmethyl)-1,3-benzothiazole
CID 56983130
2-[ethyl-[2-[[2-(naphthalen-1-ylmethyl)-1,3-benzothiazol-6-yl]oxy]ethyl]amino]ethanol
CID 67622160
6-methoxy-2-(thiophen-2-ylmethyl)-1,3-benzothiazole
CID 67564031
6-methoxy-2-(nitrosomethyl)-1,3-benzothiazole
CID 123202651
2-(6-methoxy-1,3-benzothiazol-2-yl)ethanamine
CID 39106649
[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 2393453
1-[(6-methoxy-1,3-benzothiazol-2-yl)diazenyl]naphthalen-2-ol
CID 2311776
6-methoxy-2-[4-[10-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]anthracen-9-yl]phenyl]-1,3-benzothiazole
CID 22960185
2-[(6-methoxy-1,3-benzothiazol-2-yl)methoxy]ethanamine
CID 79512407
3-chloro-N-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]aniline
CID 79511098
N-(2,5-dimethoxyphenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide
CID 84565259
N'-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride
CID 120843648

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(naphthalen-1-ylmethyl)-1,3-benzothiazole?
The IUPAC name of 6-methoxy-2-(naphthalen-1-ylmethyl)-1,3-benzothiazole (CID 57312880) is 6-methoxy-2-(naphthalen-1-ylmethyl)-1,3-benzothiazole.
What is the SMILES notation for 6-methoxy-2-(naphthalen-1-ylmethyl)-1,3-benzothiazole?
The canonical SMILES for 6-methoxy-2-(naphthalen-1-ylmethyl)-1,3-benzothiazole is COc1ccc2nc(Cc3cccc4ccccc34)sc2c1.
What is the InChIKey of 6-methoxy-2-(naphthalen-1-ylmethyl)-1,3-benzothiazole?
The InChIKey is KBQZZKWERQLHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NOS/c1-21-15-9-10-17-18(12-15)22-19(20-17)11-14-7-4-6-13-5-2-3-8-16(13)14/h2-10,12H,11H2,1H3.
What are the key properties of 6-methoxy-2-(naphthalen-1-ylmethyl)-1,3-benzothiazole?
6-methoxy-2-(naphthalen-1-ylmethyl)-1,3-benzothiazole has a molecular weight of 305.40 g/mol, XLogP of 5.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(naphthalen-1-ylmethyl)-1,3-benzothiazole is sourced from PubChem (CID 57312880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).