(6-methoxynaphthalen-2-yl)-(1,3-thiazol-5-yl)methanol

C15H13NO2S — CID 22018460

IUPAC(6-methoxynaphthalen-2-yl)-(1,3-thiazol-5-yl)methanol
SMILESCOc1ccc2cc(C(O)c3cncs3)ccc2c1
InChIInChI=1S/C15H13NO2S/c1-18-13-5-4-10-6-12(3-2-11(10)7-13)15(17)14-8-16-9-19-14/h2-9,15,17H,1H3
InChIKeyXYQKJWWXKBEQNY-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.39
Rot. Bonds3

About (6-methoxynaphthalen-2-yl)-(1,3-thiazol-5-yl)methanol

(6-methoxynaphthalen-2-yl)-(1,3-thiazol-5-yl)methanol (PubChem CID 22018460) has the molecular formula C15H13NO2S and a molecular weight of 271.34 g/mol. Its IUPAC name is (6-methoxynaphthalen-2-yl)-(1,3-thiazol-5-yl)methanol.

Molecular Properties

Compound Name(6-methoxynaphthalen-2-yl)-(1,3-thiazol-5-yl)methanol
PubChem CID22018460
Molecular FormulaC15H13NO2S
Molecular Weight271.34 g/mol
Exact Mass271.07
IUPAC Name(6-methoxynaphthalen-2-yl)-(1,3-thiazol-5-yl)methanol
SMILESCOc1ccc2cc(C(O)c3cncs3)ccc2c1
InChIInChI=1S/C15H13NO2S/c1-18-13-5-4-10-6-12(3-2-11(10)7-13)15(17)14-8-16-9-19-14/h2-9,15,17H,1H3
InChIKeyXYQKJWWXKBEQNY-UHFFFAOYSA-N
XLogP3.39
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6-methoxynaphthalen-2-yl)-(4-methoxythiophen-2-yl)methanol
CID 81119910
(6-methoxynaphthalen-2-yl)-(5-methylfuran-3-yl)methanol
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amino-(6-methoxynaphthalen-2-yl)methanol
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(1S)-2-amino-1-(6-methoxynaphthalen-2-yl)ethanol
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(3-ethylthiophen-2-yl)-(6-methoxynaphthalen-2-yl)methanol
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(4-chloro-1-methylpyrazol-5-yl)-(6-methoxynaphthalen-2-yl)methanol
CID 114634999
2,2-dichloro-1-(6-methoxynaphthalen-2-yl)ethanol
CID 164892254
(6-methoxynaphthalen-2-yl)-(methylamino)methanol
CID 116954754
2-(6-methoxynaphthalen-2-yl)-4-methylpentan-3-ol
CID 79298435
[3-(2-methylpropyl)phenyl]-(1,3-thiazol-5-yl)methanol
CID 116542846
2-bromo-1-(6-methoxynaphthalen-2-yl)ethanol
CID 116863268
1-(3-methoxyphenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine
CID 113260329

Frequently Asked Questions

What is the IUPAC name of (6-methoxynaphthalen-2-yl)-(1,3-thiazol-5-yl)methanol?
The IUPAC name of (6-methoxynaphthalen-2-yl)-(1,3-thiazol-5-yl)methanol (CID 22018460) is (6-methoxynaphthalen-2-yl)-(1,3-thiazol-5-yl)methanol.
What is the SMILES notation for (6-methoxynaphthalen-2-yl)-(1,3-thiazol-5-yl)methanol?
The canonical SMILES for (6-methoxynaphthalen-2-yl)-(1,3-thiazol-5-yl)methanol is COc1ccc2cc(C(O)c3cncs3)ccc2c1.
What is the InChIKey of (6-methoxynaphthalen-2-yl)-(1,3-thiazol-5-yl)methanol?
The InChIKey is XYQKJWWXKBEQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2S/c1-18-13-5-4-10-6-12(3-2-11(10)7-13)15(17)14-8-16-9-19-14/h2-9,15,17H,1H3.
What are the key properties of (6-methoxynaphthalen-2-yl)-(1,3-thiazol-5-yl)methanol?
(6-methoxynaphthalen-2-yl)-(1,3-thiazol-5-yl)methanol has a molecular weight of 271.34 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxynaphthalen-2-yl)-(1,3-thiazol-5-yl)methanol is sourced from PubChem (CID 22018460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).