2-(1-methoxynaphthalen-2-yl)-1,3-benzothiazole

C18H13NOS — CID 58511508

IUPAC2-(1-methoxynaphthalen-2-yl)-1,3-benzothiazole
SMILESCOc1c(-c2nc3ccccc3s2)ccc2ccccc12
InChIInChI=1S/C18H13NOS/c1-20-17-13-7-3-2-6-12(13)10-11-14(17)18-19-15-8-4-5-9-16(15)21-18/h2-11H,1H3
InChIKeyXCXHJIABQACBBL-UHFFFAOYSA-N
MW291.38 g/mol
LogP5.13
Rot. Bonds2

About 2-(1-methoxynaphthalen-2-yl)-1,3-benzothiazole

2-(1-methoxynaphthalen-2-yl)-1,3-benzothiazole (PubChem CID 58511508) has the molecular formula C18H13NOS and a molecular weight of 291.38 g/mol. Its IUPAC name is 2-(1-methoxynaphthalen-2-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name2-(1-methoxynaphthalen-2-yl)-1,3-benzothiazole
PubChem CID58511508
Molecular FormulaC18H13NOS
Molecular Weight291.38 g/mol
Exact Mass291.07
IUPAC Name2-(1-methoxynaphthalen-2-yl)-1,3-benzothiazole
SMILESCOc1c(-c2nc3ccccc3s2)ccc2ccccc12
InChIInChI=1S/C18H13NOS/c1-20-17-13-7-3-2-6-12(13)10-11-14(17)18-19-15-8-4-5-9-16(15)21-18/h2-11H,1H3
InChIKeyXCXHJIABQACBBL-UHFFFAOYSA-N
XLogP5.13
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.38
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-Methoxyphenyl)benzothiazole
CID 95753
2-(2-Methoxyphenyl)benzothiazole
CID 95764
2-(3-Methoxyphenyl)-1,3-benzothiazole
CID 833673
[2-(2-Chloro-benzothiazol-6-yl)-ethyl]-((R)-5-methoxy-1,2,3,4-tetrahydro-naphthalen-1-ylmethyl)-methyl-amine
CID 10573100
5-Fluoro-2-(4-methoxy-3-methylphenyl)-1,3-benzothiazole
CID 11651967
(2-Benzothiazol-6-yl-ethyl)-((R)-5-methoxy-1,2,3,4-tetrahydro-naphthalen-1-ylmethyl)-methyl-amine
CID 11793296
5-Methoxy-2-methylnaphtho[1,2-d][1,3]thiazole
CID 768657
2-(2-Ethoxyphenyl)-1,3-benzothiazole
CID 95747
N-[4-(6-methylbenzothiazol-2-yl)phenyl]-2-(2,3,6-trimethylphenoxy)acetamide
CID 1567021
((R)-5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-ylmethyl)-methyl-[2-(2-methyl-benzothiazol-6-yl)-ethyl]-amine
CID 10500014
6-{2-[((R)-5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-ylmethyl)-methyl-amino]-ethyl}-benzothiazol-2-ylamine
CID 10643571
2-[4-(1,3-Benzothiazol-2-ylmethyl)-1-(4-methoxy-2,3-dimethylbenzyl)piperazin-2-yl]ethanol
CID 16188281

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxynaphthalen-2-yl)-1,3-benzothiazole?
The IUPAC name of 2-(1-methoxynaphthalen-2-yl)-1,3-benzothiazole (CID 58511508) is 2-(1-methoxynaphthalen-2-yl)-1,3-benzothiazole.
What is the SMILES notation for 2-(1-methoxynaphthalen-2-yl)-1,3-benzothiazole?
The canonical SMILES for 2-(1-methoxynaphthalen-2-yl)-1,3-benzothiazole is COc1c(-c2nc3ccccc3s2)ccc2ccccc12.
What is the InChIKey of 2-(1-methoxynaphthalen-2-yl)-1,3-benzothiazole?
The InChIKey is XCXHJIABQACBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NOS/c1-20-17-13-7-3-2-6-12(13)10-11-14(17)18-19-15-8-4-5-9-16(15)21-18/h2-11H,1H3.
What are the key properties of 2-(1-methoxynaphthalen-2-yl)-1,3-benzothiazole?
2-(1-methoxynaphthalen-2-yl)-1,3-benzothiazole has a molecular weight of 291.38 g/mol, XLogP of 5.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxynaphthalen-2-yl)-1,3-benzothiazole is sourced from PubChem (CID 58511508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).