2-(5-methoxynaphthalen-1-yl)-1,3-benzothiazole

C18H13NOS — CID 142679253

IUPAC2-(5-methoxynaphthalen-1-yl)-1,3-benzothiazole
SMILESCOc1cccc2c(-c3nc4ccccc4s3)cccc12
InChIInChI=1S/C18H13NOS/c1-20-16-10-5-6-12-13(16)7-4-8-14(12)18-19-15-9-2-3-11-17(15)21-18/h2-11H,1H3
InChIKeyDLIAHYURCCKAQF-UHFFFAOYSA-N
MW291.38 g/mol
LogP5.13
Rot. Bonds2

About 2-(5-methoxynaphthalen-1-yl)-1,3-benzothiazole

2-(5-methoxynaphthalen-1-yl)-1,3-benzothiazole (PubChem CID 142679253) has the molecular formula C18H13NOS and a molecular weight of 291.38 g/mol. Its IUPAC name is 2-(5-methoxynaphthalen-1-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name2-(5-methoxynaphthalen-1-yl)-1,3-benzothiazole
PubChem CID142679253
Molecular FormulaC18H13NOS
Molecular Weight291.38 g/mol
Exact Mass291.07
IUPAC Name2-(5-methoxynaphthalen-1-yl)-1,3-benzothiazole
SMILESCOc1cccc2c(-c3nc4ccccc4s3)cccc12
InChIInChI=1S/C18H13NOS/c1-20-16-10-5-6-12-13(16)7-4-8-14(12)18-19-15-9-2-3-11-17(15)21-18/h2-11H,1H3
InChIKeyDLIAHYURCCKAQF-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-(2-ethoxy-3-methoxyphenyl)-1,3-benzothiazole
CID 16766166
[2-(1,3-benzothiazol-2-yl)phenoxy]-trimethylsilane
CID 170680401
2-(2-bromo-6-methoxyphenyl)-1,3-benzothiazole
CID 132514015
2-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole
CID 627307
2-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole
CID 160986314
2-[5-(9H-carbazol-1-yl)-2-methoxyphenyl]-1,3-benzothiazole
CID 141250783
2-(2-methoxy-4-phenylphenyl)-1,3-benzothiazole
CID 58511530
2-[2-[[2-(1,3-benzothiazol-2-yl)phenoxy]methoxy]phenyl]-1,3-benzothiazole;zinc
CID 143715432
2-[2-methoxy-5-(2-phenylethynyl)phenyl]-1,3-benzothiazole
CID 132509007
2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-1,3-benzothiazole
CID 141369709
3-(1,3-benzothiazol-2-yl)-4-methoxybenzaldehyde
CID 163198854
2-[2-[2-[2-[2-(1,3-benzothiazol-2-yl)phenoxy]ethoxy]ethoxy]phenyl]-1,3-benzothiazole
CID 102361398

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxynaphthalen-1-yl)-1,3-benzothiazole?
The IUPAC name of 2-(5-methoxynaphthalen-1-yl)-1,3-benzothiazole (CID 142679253) is 2-(5-methoxynaphthalen-1-yl)-1,3-benzothiazole.
What is the SMILES notation for 2-(5-methoxynaphthalen-1-yl)-1,3-benzothiazole?
The canonical SMILES for 2-(5-methoxynaphthalen-1-yl)-1,3-benzothiazole is COc1cccc2c(-c3nc4ccccc4s3)cccc12.
What is the InChIKey of 2-(5-methoxynaphthalen-1-yl)-1,3-benzothiazole?
The InChIKey is DLIAHYURCCKAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NOS/c1-20-16-10-5-6-12-13(16)7-4-8-14(12)18-19-15-9-2-3-11-17(15)21-18/h2-11H,1H3.
What are the key properties of 2-(5-methoxynaphthalen-1-yl)-1,3-benzothiazole?
2-(5-methoxynaphthalen-1-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-(5-methoxynaphthalen-1-yl)-1,3-benzothiazole is sourced from PubChem (CID 142679253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).