1-(7-methoxynaphthalen-1-yl)-3-(1,3-thiazol-2-yl)propan-2-ol

C17H17NO2S — CID 115506143

IUPAC1-(7-methoxynaphthalen-1-yl)-3-(1,3-thiazol-2-yl)propan-2-ol
SMILESCOc1ccc2cccc(CC(O)Cc3nccs3)c2c1
InChIInChI=1S/C17H17NO2S/c1-20-15-6-5-12-3-2-4-13(16(12)11-15)9-14(19)10-17-18-7-8-21-17/h2-8,11,14,19H,9-10H2,1H3
InChIKeyMITBZVHWLZITQX-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.45
Rot. Bonds5

About 1-(7-methoxynaphthalen-1-yl)-3-(1,3-thiazol-2-yl)propan-2-ol

1-(7-methoxynaphthalen-1-yl)-3-(1,3-thiazol-2-yl)propan-2-ol (PubChem CID 115506143) has the molecular formula C17H17NO2S and a molecular weight of 299.40 g/mol. Its IUPAC name is 1-(7-methoxynaphthalen-1-yl)-3-(1,3-thiazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(7-methoxynaphthalen-1-yl)-3-(1,3-thiazol-2-yl)propan-2-ol
PubChem CID115506143
Molecular FormulaC17H17NO2S
Molecular Weight299.40 g/mol
Exact Mass299.10
IUPAC Name1-(7-methoxynaphthalen-1-yl)-3-(1,3-thiazol-2-yl)propan-2-ol
SMILESCOc1ccc2cccc(CC(O)Cc3nccs3)c2c1
InChIInChI=1S/C17H17NO2S/c1-20-15-6-5-12-3-2-4-13(16(12)11-15)9-14(19)10-17-18-7-8-21-17/h2-8,11,14,19H,9-10H2,1H3
InChIKeyMITBZVHWLZITQX-UHFFFAOYSA-N
XLogP3.45
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(7-methoxynaphthalen-1-yl)-3-phenylpropan-2-ol
CID 115506158
1-(7-methoxynaphthalen-1-yl)-6-methylheptan-2-ol
CID 83148133
1-(3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanol
CID 79823536
1-(3-bromothiophen-2-yl)-2-(7-methoxynaphthalen-1-yl)ethanamine
CID 115506218
2-(7-methoxynaphthalen-1-yl)-1-pyrimidin-5-ylethanol
CID 115506156
1-(7-methoxynaphthalen-1-yl)-3-thiophen-2-ylpropan-2-amine
CID 115506200
1-(7-methoxynaphthalen-1-yl)-3-methylbut-3-en-2-amine
CID 115506222
1-(3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 79020836
[1-(7-methoxynaphthalen-1-yl)-3,3-dimethylbutan-2-yl]hydrazine
CID 105260340
2-[(7-methoxynaphthalen-1-yl)methyl]-1,3-thiazol-4-amine
CID 83108000
1-methoxy-3-(7-methoxynaphthalen-1-yl)-N-methylpropan-2-amine
CID 115506270
1-cyclopropyl-2-(7-methoxynaphthalen-1-yl)ethanamine
CID 115506198

Frequently Asked Questions

What is the IUPAC name of 1-(7-methoxynaphthalen-1-yl)-3-(1,3-thiazol-2-yl)propan-2-ol?
The IUPAC name of 1-(7-methoxynaphthalen-1-yl)-3-(1,3-thiazol-2-yl)propan-2-ol (CID 115506143) is 1-(7-methoxynaphthalen-1-yl)-3-(1,3-thiazol-2-yl)propan-2-ol.
What is the SMILES notation for 1-(7-methoxynaphthalen-1-yl)-3-(1,3-thiazol-2-yl)propan-2-ol?
The canonical SMILES for 1-(7-methoxynaphthalen-1-yl)-3-(1,3-thiazol-2-yl)propan-2-ol is COc1ccc2cccc(CC(O)Cc3nccs3)c2c1.
What is the InChIKey of 1-(7-methoxynaphthalen-1-yl)-3-(1,3-thiazol-2-yl)propan-2-ol?
The InChIKey is MITBZVHWLZITQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2S/c1-20-15-6-5-12-3-2-4-13(16(12)11-15)9-14(19)10-17-18-7-8-21-17/h2-8,11,14,19H,9-10H2,1H3.
What are the key properties of 1-(7-methoxynaphthalen-1-yl)-3-(1,3-thiazol-2-yl)propan-2-ol?
1-(7-methoxynaphthalen-1-yl)-3-(1,3-thiazol-2-yl)propan-2-ol has a molecular weight of 299.40 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methoxynaphthalen-1-yl)-3-(1,3-thiazol-2-yl)propan-2-ol is sourced from PubChem (CID 115506143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).