2-[1-methoxy-7-(naphthalen-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-yl]-1,3-thiazole

C25H23NO2S — CID 23852521

IUPAC2-[1-methoxy-7-(naphthalen-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-yl]-1,3-thiazole
SMILESCOC1(c2nccs2)CCCc2ccc(OCc3ccc4ccccc4c3)cc21
InChIInChI=1S/C25H23NO2S/c1-27-25(24-26-13-14-29-24)12-4-7-20-10-11-22(16-23(20)25)28-17-18-8-9-19-5-2-3-6-21(19)15-18/h2-3,5-6,8-11,13-16H,4,7,12,17H2,1H3
InChIKeyYLDXMKKPADNAQA-UHFFFAOYSA-N
MW401.53 g/mol
LogP6.10
Rot. Bonds5

About 2-[1-methoxy-7-(naphthalen-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-yl]-1,3-thiazole

2-[1-methoxy-7-(naphthalen-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-yl]-1,3-thiazole (PubChem CID 23852521) has the molecular formula C25H23NO2S and a molecular weight of 401.53 g/mol. Its IUPAC name is 2-[1-methoxy-7-(naphthalen-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-methoxy-7-(naphthalen-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-yl]-1,3-thiazole
PubChem CID23852521
Molecular FormulaC25H23NO2S
Molecular Weight401.53 g/mol
Exact Mass401.14
IUPAC Name2-[1-methoxy-7-(naphthalen-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-yl]-1,3-thiazole
SMILESCOC1(c2nccs2)CCCc2ccc(OCc3ccc4ccccc4c3)cc21
InChIInChI=1S/C25H23NO2S/c1-27-25(24-26-13-14-29-24)12-4-7-20-10-11-22(16-23(20)25)28-17-18-8-9-19-5-2-3-6-21(19)15-18/h2-3,5-6,8-11,13-16H,4,7,12,17H2,1H3
InChIKeyYLDXMKKPADNAQA-UHFFFAOYSA-N
XLogP6.10
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.53
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-methoxy-7-(naphthalen-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-yl]-1,3-thiazole?
The IUPAC name of 2-[1-methoxy-7-(naphthalen-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-yl]-1,3-thiazole (CID 23852521) is 2-[1-methoxy-7-(naphthalen-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-yl]-1,3-thiazole.
What is the SMILES notation for 2-[1-methoxy-7-(naphthalen-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-yl]-1,3-thiazole?
The canonical SMILES for 2-[1-methoxy-7-(naphthalen-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-yl]-1,3-thiazole is COC1(c2nccs2)CCCc2ccc(OCc3ccc4ccccc4c3)cc21.
What is the InChIKey of 2-[1-methoxy-7-(naphthalen-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-yl]-1,3-thiazole?
The InChIKey is YLDXMKKPADNAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO2S/c1-27-25(24-26-13-14-29-24)12-4-7-20-10-11-22(16-23(20)25)28-17-18-8-9-19-5-2-3-6-21(19)15-18/h2-3,5-6,8-11,13-16H,4,7,12,17H2,1H3.
What are the key properties of 2-[1-methoxy-7-(naphthalen-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-yl]-1,3-thiazole?
2-[1-methoxy-7-(naphthalen-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-yl]-1,3-thiazole has a molecular weight of 401.53 g/mol, XLogP of 6.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methoxy-7-(naphthalen-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-yl]-1,3-thiazole is sourced from PubChem (CID 23852521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).