4-methyl-5-(6-naphthalen-2-yloxyhexyl)-1,2-thiazole

C20H23NOS — CID 5272776

IUPAC4-methyl-5-(6-naphthalen-2-yloxyhexyl)-1,2-thiazole
SMILESCc1cnsc1CCCCCCOc1ccc2ccccc2c1
InChIInChI=1S/C20H23NOS/c1-16-15-21-23-20(16)10-4-2-3-7-13-22-19-12-11-17-8-5-6-9-18(17)14-19/h5-6,8-9,11-12,14-15H,2-4,7,10,13H2,1H3
InChIKeyGSSQZHLXCXKSOP-UHFFFAOYSA-N
MW325.48 g/mol
LogP5.79
Rot. Bonds8

About 4-methyl-5-(6-naphthalen-2-yloxyhexyl)-1,2-thiazole

4-methyl-5-(6-naphthalen-2-yloxyhexyl)-1,2-thiazole (PubChem CID 5272776) has the molecular formula C20H23NOS and a molecular weight of 325.48 g/mol. Its IUPAC name is 4-methyl-5-(6-naphthalen-2-yloxyhexyl)-1,2-thiazole.

Molecular Properties

Compound Name4-methyl-5-(6-naphthalen-2-yloxyhexyl)-1,2-thiazole
PubChem CID5272776
Molecular FormulaC20H23NOS
Molecular Weight325.48 g/mol
Exact Mass325.15
IUPAC Name4-methyl-5-(6-naphthalen-2-yloxyhexyl)-1,2-thiazole
SMILESCc1cnsc1CCCCCCOc1ccc2ccccc2c1
InChIInChI=1S/C20H23NOS/c1-16-15-21-23-20(16)10-4-2-3-7-13-22-19-12-11-17-8-5-6-9-18(17)14-19/h5-6,8-9,11-12,14-15H,2-4,7,10,13H2,1H3
InChIKeyGSSQZHLXCXKSOP-UHFFFAOYSA-N
XLogP5.79
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.48
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(6-naphthalen-2-yloxyhexyl)-1,2-thiazole?
The IUPAC name of 4-methyl-5-(6-naphthalen-2-yloxyhexyl)-1,2-thiazole (CID 5272776) is 4-methyl-5-(6-naphthalen-2-yloxyhexyl)-1,2-thiazole.
What is the SMILES notation for 4-methyl-5-(6-naphthalen-2-yloxyhexyl)-1,2-thiazole?
The canonical SMILES for 4-methyl-5-(6-naphthalen-2-yloxyhexyl)-1,2-thiazole is Cc1cnsc1CCCCCCOc1ccc2ccccc2c1.
What is the InChIKey of 4-methyl-5-(6-naphthalen-2-yloxyhexyl)-1,2-thiazole?
The InChIKey is GSSQZHLXCXKSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NOS/c1-16-15-21-23-20(16)10-4-2-3-7-13-22-19-12-11-17-8-5-6-9-18(17)14-19/h5-6,8-9,11-12,14-15H,2-4,7,10,13H2,1H3.
What are the key properties of 4-methyl-5-(6-naphthalen-2-yloxyhexyl)-1,2-thiazole?
4-methyl-5-(6-naphthalen-2-yloxyhexyl)-1,2-thiazole has a molecular weight of 325.48 g/mol, XLogP of 5.79, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(6-naphthalen-2-yloxyhexyl)-1,2-thiazole is sourced from PubChem (CID 5272776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).