(6-methoxynaphthalen-1-yl)-(1,3-thiazol-5-yl)methanone

C15H11NO2S — CID 54545916

IUPAC(6-methoxynaphthalen-1-yl)-(1,3-thiazol-5-yl)methanone
SMILESCOc1ccc2c(C(=O)c3cncs3)cccc2c1
InChIInChI=1S/C15H11NO2S/c1-18-11-5-6-12-10(7-11)3-2-4-13(12)15(17)14-8-16-9-19-14/h2-9H,1H3
InChIKeyZGNCBYYXKUDFKB-UHFFFAOYSA-N
MW269.32 g/mol
LogP3.54
Rot. Bonds3

About (6-methoxynaphthalen-1-yl)-(1,3-thiazol-5-yl)methanone

(6-methoxynaphthalen-1-yl)-(1,3-thiazol-5-yl)methanone (PubChem CID 54545916) has the molecular formula C15H11NO2S and a molecular weight of 269.32 g/mol. Its IUPAC name is (6-methoxynaphthalen-1-yl)-(1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name(6-methoxynaphthalen-1-yl)-(1,3-thiazol-5-yl)methanone
PubChem CID54545916
Molecular FormulaC15H11NO2S
Molecular Weight269.32 g/mol
Exact Mass269.05
IUPAC Name(6-methoxynaphthalen-1-yl)-(1,3-thiazol-5-yl)methanone
SMILESCOc1ccc2c(C(=O)c3cncs3)cccc2c1
InChIInChI=1S/C15H11NO2S/c1-18-11-5-6-12-10(7-11)3-2-4-13(12)15(17)14-8-16-9-19-14/h2-9H,1H3
InChIKeyZGNCBYYXKUDFKB-UHFFFAOYSA-N
XLogP3.54
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-methoxynaphthalen-1-yl)-(1,3-thiazol-5-yl)methanone?
The IUPAC name of (6-methoxynaphthalen-1-yl)-(1,3-thiazol-5-yl)methanone (CID 54545916) is (6-methoxynaphthalen-1-yl)-(1,3-thiazol-5-yl)methanone.
What is the SMILES notation for (6-methoxynaphthalen-1-yl)-(1,3-thiazol-5-yl)methanone?
The canonical SMILES for (6-methoxynaphthalen-1-yl)-(1,3-thiazol-5-yl)methanone is COc1ccc2c(C(=O)c3cncs3)cccc2c1.
What is the InChIKey of (6-methoxynaphthalen-1-yl)-(1,3-thiazol-5-yl)methanone?
The InChIKey is ZGNCBYYXKUDFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO2S/c1-18-11-5-6-12-10(7-11)3-2-4-13(12)15(17)14-8-16-9-19-14/h2-9H,1H3.
What are the key properties of (6-methoxynaphthalen-1-yl)-(1,3-thiazol-5-yl)methanone?
(6-methoxynaphthalen-1-yl)-(1,3-thiazol-5-yl)methanone has a molecular weight of 269.32 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxynaphthalen-1-yl)-(1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 54545916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).