7-[(5-fluoro-1,3-benzothiazol-2-yl)methoxy]naphthalen-2-ol

C18H12FNO2S — CID 19019454

IUPAC7-[(5-fluoro-1,3-benzothiazol-2-yl)methoxy]naphthalen-2-ol
SMILESOc1ccc2ccc(OCc3nc4cc(F)ccc4s3)cc2c1
InChIInChI=1S/C18H12FNO2S/c19-13-3-6-17-16(9-13)20-18(23-17)10-22-15-5-2-11-1-4-14(21)7-12(11)8-15/h1-9,21H,10H2
InChIKeySPTHHTCWHJDXJR-UHFFFAOYSA-N
MW325.36 g/mol
LogP4.87
Rot. Bonds3

About 7-[(5-fluoro-1,3-benzothiazol-2-yl)methoxy]naphthalen-2-ol

7-[(5-fluoro-1,3-benzothiazol-2-yl)methoxy]naphthalen-2-ol (PubChem CID 19019454) has the molecular formula C18H12FNO2S and a molecular weight of 325.36 g/mol. Its IUPAC name is 7-[(5-fluoro-1,3-benzothiazol-2-yl)methoxy]naphthalen-2-ol.

Molecular Properties

Compound Name7-[(5-fluoro-1,3-benzothiazol-2-yl)methoxy]naphthalen-2-ol
PubChem CID19019454
Molecular FormulaC18H12FNO2S
Molecular Weight325.36 g/mol
Exact Mass325.06
IUPAC Name7-[(5-fluoro-1,3-benzothiazol-2-yl)methoxy]naphthalen-2-ol
SMILESOc1ccc2ccc(OCc3nc4cc(F)ccc4s3)cc2c1
InChIInChI=1S/C18H12FNO2S/c19-13-3-6-17-16(9-13)20-18(23-17)10-22-15-5-2-11-1-4-14(21)7-12(11)8-15/h1-9,21H,10H2
InChIKeySPTHHTCWHJDXJR-UHFFFAOYSA-N
XLogP4.87
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Benzo[D]thiazol-2-YL(4-methoxyphenyl)methanol
CID 647548
{[4-(Benzothiazol-2-ylmethoxy)-phenyl]-cyclohexyl-methoxyimino}-acetic acid
CID 10574353
{Cyclohexyl-[4-(5-fluoro-benzothiazol-2-ylmethoxy)-phenyl]-methoxyimino}-acetic acid
CID 10623059
(2E)-2-[[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]-cyclohexylmethoxy]iminopropanoic acid
CID 10812930
US9714221, Example 178
CID 130232890
US9714221, Example 175
CID 130233194
2-[4-[[3-(1,3-Benzothiazol-2-yl)phenoxy]methyl]-2-fluorophenoxy]acetic acid
CID 168273292
5-[2-(1,3-Benzothiazol-2-yl)ethyl]-2-methoxyphenol
CID 155804507
N-[7-(1,3-benzothiazol-2-ylmethoxy)naphthalen-2-yl]ethanesulfonamide
CID 14548148
2-[2-[2-Methyl-3-(2-methylpropoxy)phenyl]ethyl]-1,3-benzothiazole
CID 44356673
2-[3-(1,3-Benzothiazol-2-ylmethoxy)phenyl]acetic acid
CID 44460425
2-[(E)-4-[4-[(4-fluorophenyl)methoxy]phenyl]but-3-enyl]sulfanyl-1,3-benzothiazole
CID 72703706

Frequently Asked Questions

What is the IUPAC name of 7-[(5-fluoro-1,3-benzothiazol-2-yl)methoxy]naphthalen-2-ol?
The IUPAC name of 7-[(5-fluoro-1,3-benzothiazol-2-yl)methoxy]naphthalen-2-ol (CID 19019454) is 7-[(5-fluoro-1,3-benzothiazol-2-yl)methoxy]naphthalen-2-ol.
What is the SMILES notation for 7-[(5-fluoro-1,3-benzothiazol-2-yl)methoxy]naphthalen-2-ol?
The canonical SMILES for 7-[(5-fluoro-1,3-benzothiazol-2-yl)methoxy]naphthalen-2-ol is Oc1ccc2ccc(OCc3nc4cc(F)ccc4s3)cc2c1.
What is the InChIKey of 7-[(5-fluoro-1,3-benzothiazol-2-yl)methoxy]naphthalen-2-ol?
The InChIKey is SPTHHTCWHJDXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FNO2S/c19-13-3-6-17-16(9-13)20-18(23-17)10-22-15-5-2-11-1-4-14(21)7-12(11)8-15/h1-9,21H,10H2.
What are the key properties of 7-[(5-fluoro-1,3-benzothiazol-2-yl)methoxy]naphthalen-2-ol?
7-[(5-fluoro-1,3-benzothiazol-2-yl)methoxy]naphthalen-2-ol has a molecular weight of 325.36 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(5-fluoro-1,3-benzothiazol-2-yl)methoxy]naphthalen-2-ol is sourced from PubChem (CID 19019454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).