7-methoxy-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,4-dihydro-1H-naphthalen-2-ol

C16H19NO2S — CID 115511023

IUPAC7-methoxy-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,4-dihydro-1H-naphthalen-2-ol
SMILESCOc1ccc2c(c1)CC(O)(Cc1csc(C)n1)CC2
InChIInChI=1S/C16H19NO2S/c1-11-17-14(10-20-11)9-16(18)6-5-12-3-4-15(19-2)7-13(12)8-16/h3-4,7,10,18H,5-6,8-9H2,1-2H3
InChIKeyPDQLQAUBFPMKNP-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.92
Rot. Bonds3

About 7-methoxy-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,4-dihydro-1H-naphthalen-2-ol

7-methoxy-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,4-dihydro-1H-naphthalen-2-ol (PubChem CID 115511023) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is 7-methoxy-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,4-dihydro-1H-naphthalen-2-ol.

Molecular Properties

Compound Name7-methoxy-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,4-dihydro-1H-naphthalen-2-ol
PubChem CID115511023
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Name7-methoxy-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,4-dihydro-1H-naphthalen-2-ol
SMILESCOc1ccc2c(c1)CC(O)(Cc1csc(C)n1)CC2
InChIInChI=1S/C16H19NO2S/c1-11-17-14(10-20-11)9-16(18)6-5-12-3-4-15(19-2)7-13(12)8-16/h3-4,7,10,18H,5-6,8-9H2,1-2H3
InChIKeyPDQLQAUBFPMKNP-UHFFFAOYSA-N
XLogP2.92
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,4-dihydro-1H-naphthalen-2-ol?
The IUPAC name of 7-methoxy-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,4-dihydro-1H-naphthalen-2-ol (CID 115511023) is 7-methoxy-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,4-dihydro-1H-naphthalen-2-ol.
What is the SMILES notation for 7-methoxy-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,4-dihydro-1H-naphthalen-2-ol?
The canonical SMILES for 7-methoxy-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,4-dihydro-1H-naphthalen-2-ol is COc1ccc2c(c1)CC(O)(Cc1csc(C)n1)CC2.
What is the InChIKey of 7-methoxy-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,4-dihydro-1H-naphthalen-2-ol?
The InChIKey is PDQLQAUBFPMKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-11-17-14(10-20-11)9-16(18)6-5-12-3-4-15(19-2)7-13(12)8-16/h3-4,7,10,18H,5-6,8-9H2,1-2H3.
What are the key properties of 7-methoxy-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,4-dihydro-1H-naphthalen-2-ol?
7-methoxy-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,4-dihydro-1H-naphthalen-2-ol has a molecular weight of 289.40 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,4-dihydro-1H-naphthalen-2-ol is sourced from PubChem (CID 115511023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).