4-[1-methoxy-1-[3-(naphthalen-2-ylmethoxy)phenyl]propyl]-1,3-thiazole

C24H23NO2S — CID 15050008

IUPAC4-[1-methoxy-1-[3-(naphthalen-2-ylmethoxy)phenyl]propyl]-1,3-thiazole
SMILESCCC(OC)(c1cccc(OCc2ccc3ccccc3c2)c1)c1cscn1
InChIInChI=1S/C24H23NO2S/c1-3-24(26-2,23-16-28-17-25-23)21-9-6-10-22(14-21)27-15-18-11-12-19-7-4-5-8-20(19)13-18/h4-14,16-17H,3,15H2,1-2H3
InChIKeyNJLAYSLRHDWPBU-UHFFFAOYSA-N
MW389.52 g/mol
LogP6.18
Rot. Bonds7

About 4-[1-methoxy-1-[3-(naphthalen-2-ylmethoxy)phenyl]propyl]-1,3-thiazole

4-[1-methoxy-1-[3-(naphthalen-2-ylmethoxy)phenyl]propyl]-1,3-thiazole (PubChem CID 15050008) has the molecular formula C24H23NO2S and a molecular weight of 389.52 g/mol. Its IUPAC name is 4-[1-methoxy-1-[3-(naphthalen-2-ylmethoxy)phenyl]propyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[1-methoxy-1-[3-(naphthalen-2-ylmethoxy)phenyl]propyl]-1,3-thiazole
PubChem CID15050008
Molecular FormulaC24H23NO2S
Molecular Weight389.52 g/mol
Exact Mass389.14
IUPAC Name4-[1-methoxy-1-[3-(naphthalen-2-ylmethoxy)phenyl]propyl]-1,3-thiazole
SMILESCCC(OC)(c1cccc(OCc2ccc3ccccc3c2)c1)c1cscn1
InChIInChI=1S/C24H23NO2S/c1-3-24(26-2,23-16-28-17-25-23)21-9-6-10-22(14-21)27-15-18-11-12-19-7-4-5-8-20(19)13-18/h4-14,16-17H,3,15H2,1-2H3
InChIKeyNJLAYSLRHDWPBU-UHFFFAOYSA-N
XLogP6.18
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.52
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-methoxy-1-[3-(naphthalen-2-ylmethoxy)phenyl]propyl]-1,3-thiazole?
The IUPAC name of 4-[1-methoxy-1-[3-(naphthalen-2-ylmethoxy)phenyl]propyl]-1,3-thiazole (CID 15050008) is 4-[1-methoxy-1-[3-(naphthalen-2-ylmethoxy)phenyl]propyl]-1,3-thiazole.
What is the SMILES notation for 4-[1-methoxy-1-[3-(naphthalen-2-ylmethoxy)phenyl]propyl]-1,3-thiazole?
The canonical SMILES for 4-[1-methoxy-1-[3-(naphthalen-2-ylmethoxy)phenyl]propyl]-1,3-thiazole is CCC(OC)(c1cccc(OCc2ccc3ccccc3c2)c1)c1cscn1.
What is the InChIKey of 4-[1-methoxy-1-[3-(naphthalen-2-ylmethoxy)phenyl]propyl]-1,3-thiazole?
The InChIKey is NJLAYSLRHDWPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO2S/c1-3-24(26-2,23-16-28-17-25-23)21-9-6-10-22(14-21)27-15-18-11-12-19-7-4-5-8-20(19)13-18/h4-14,16-17H,3,15H2,1-2H3.
What are the key properties of 4-[1-methoxy-1-[3-(naphthalen-2-ylmethoxy)phenyl]propyl]-1,3-thiazole?
4-[1-methoxy-1-[3-(naphthalen-2-ylmethoxy)phenyl]propyl]-1,3-thiazole has a molecular weight of 389.52 g/mol, XLogP of 6.18, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-methoxy-1-[3-(naphthalen-2-ylmethoxy)phenyl]propyl]-1,3-thiazole is sourced from PubChem (CID 15050008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).