2-[1,5-dimethoxy-6-(1,3-thiazol-2-yl)naphthalen-2-yl]-1,3-thiazole

C18H14N2O2S2 — CID 169050195

IUPAC2-[1,5-dimethoxy-6-(1,3-thiazol-2-yl)naphthalen-2-yl]-1,3-thiazole
SMILESCOc1c(-c2nccs2)ccc2c(OC)c(-c3nccs3)ccc12
InChIInChI=1S/C18H14N2O2S2/c1-21-15-11-3-6-14(18-20-8-10-24-18)16(22-2)12(11)4-5-13(15)17-19-7-9-23-17/h3-10H,1-2H3
InChIKeyZQSXMWPSYJHUHW-UHFFFAOYSA-N
MW354.46 g/mol
LogP5.10
Rot. Bonds4

About 2-[1,5-dimethoxy-6-(1,3-thiazol-2-yl)naphthalen-2-yl]-1,3-thiazole

2-[1,5-dimethoxy-6-(1,3-thiazol-2-yl)naphthalen-2-yl]-1,3-thiazole (PubChem CID 169050195) has the molecular formula C18H14N2O2S2 and a molecular weight of 354.46 g/mol. Its IUPAC name is 2-[1,5-dimethoxy-6-(1,3-thiazol-2-yl)naphthalen-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1,5-dimethoxy-6-(1,3-thiazol-2-yl)naphthalen-2-yl]-1,3-thiazole
PubChem CID169050195
Molecular FormulaC18H14N2O2S2
Molecular Weight354.46 g/mol
Exact Mass354.05
IUPAC Name2-[1,5-dimethoxy-6-(1,3-thiazol-2-yl)naphthalen-2-yl]-1,3-thiazole
SMILESCOc1c(-c2nccs2)ccc2c(OC)c(-c3nccs3)ccc12
InChIInChI=1S/C18H14N2O2S2/c1-21-15-11-3-6-14(18-20-8-10-24-18)16(22-2)12(11)4-5-13(15)17-19-7-9-23-17/h3-10H,1-2H3
InChIKeyZQSXMWPSYJHUHW-UHFFFAOYSA-N
XLogP5.10
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.46
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1,5-dimethoxy-6-(1,3-thiazol-2-yl)naphthalen-2-yl]-1,3-thiazole?
The IUPAC name of 2-[1,5-dimethoxy-6-(1,3-thiazol-2-yl)naphthalen-2-yl]-1,3-thiazole (CID 169050195) is 2-[1,5-dimethoxy-6-(1,3-thiazol-2-yl)naphthalen-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-[1,5-dimethoxy-6-(1,3-thiazol-2-yl)naphthalen-2-yl]-1,3-thiazole?
The canonical SMILES for 2-[1,5-dimethoxy-6-(1,3-thiazol-2-yl)naphthalen-2-yl]-1,3-thiazole is COc1c(-c2nccs2)ccc2c(OC)c(-c3nccs3)ccc12.
What is the InChIKey of 2-[1,5-dimethoxy-6-(1,3-thiazol-2-yl)naphthalen-2-yl]-1,3-thiazole?
The InChIKey is ZQSXMWPSYJHUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2S2/c1-21-15-11-3-6-14(18-20-8-10-24-18)16(22-2)12(11)4-5-13(15)17-19-7-9-23-17/h3-10H,1-2H3.
What are the key properties of 2-[1,5-dimethoxy-6-(1,3-thiazol-2-yl)naphthalen-2-yl]-1,3-thiazole?
2-[1,5-dimethoxy-6-(1,3-thiazol-2-yl)naphthalen-2-yl]-1,3-thiazole has a molecular weight of 354.46 g/mol, XLogP of 5.10, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,5-dimethoxy-6-(1,3-thiazol-2-yl)naphthalen-2-yl]-1,3-thiazole is sourced from PubChem (CID 169050195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).