4-methyl-2-(7-naphthalen-2-yloxyheptyl)-1,3-thiazole

C21H25NOS — CID 5272773

IUPAC4-methyl-2-(7-naphthalen-2-yloxyheptyl)-1,3-thiazole
SMILESCc1csc(CCCCCCCOc2ccc3ccccc3c2)n1
InChIInChI=1S/C21H25NOS/c1-17-16-24-21(22-17)11-5-3-2-4-8-14-23-20-13-12-18-9-6-7-10-19(18)15-20/h6-7,9-10,12-13,15-16H,2-5,8,11,14H2,1H3
InChIKeyPDUBQUZCVMOCJL-UHFFFAOYSA-N
MW339.50 g/mol
LogP6.18
Rot. Bonds9

About 4-methyl-2-(7-naphthalen-2-yloxyheptyl)-1,3-thiazole

4-methyl-2-(7-naphthalen-2-yloxyheptyl)-1,3-thiazole (PubChem CID 5272773) has the molecular formula C21H25NOS and a molecular weight of 339.50 g/mol. Its IUPAC name is 4-methyl-2-(7-naphthalen-2-yloxyheptyl)-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-(7-naphthalen-2-yloxyheptyl)-1,3-thiazole
PubChem CID5272773
Molecular FormulaC21H25NOS
Molecular Weight339.50 g/mol
Exact Mass339.17
IUPAC Name4-methyl-2-(7-naphthalen-2-yloxyheptyl)-1,3-thiazole
SMILESCc1csc(CCCCCCCOc2ccc3ccccc3c2)n1
InChIInChI=1S/C21H25NOS/c1-17-16-24-21(22-17)11-5-3-2-4-8-14-23-20-13-12-18-9-6-7-10-19(18)15-20/h6-7,9-10,12-13,15-16H,2-5,8,11,14H2,1H3
InChIKeyPDUBQUZCVMOCJL-UHFFFAOYSA-N
XLogP6.18
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.50
LogP ≤ 56.18
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-2-(7-naphthalen-2-yloxyheptyl)-1,3-thiazole?
The IUPAC name of 4-methyl-2-(7-naphthalen-2-yloxyheptyl)-1,3-thiazole (CID 5272773) is 4-methyl-2-(7-naphthalen-2-yloxyheptyl)-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-(7-naphthalen-2-yloxyheptyl)-1,3-thiazole?
The canonical SMILES for 4-methyl-2-(7-naphthalen-2-yloxyheptyl)-1,3-thiazole is Cc1csc(CCCCCCCOc2ccc3ccccc3c2)n1.
What is the InChIKey of 4-methyl-2-(7-naphthalen-2-yloxyheptyl)-1,3-thiazole?
The InChIKey is PDUBQUZCVMOCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NOS/c1-17-16-24-21(22-17)11-5-3-2-4-8-14-23-20-13-12-18-9-6-7-10-19(18)15-20/h6-7,9-10,12-13,15-16H,2-5,8,11,14H2,1H3.
What are the key properties of 4-methyl-2-(7-naphthalen-2-yloxyheptyl)-1,3-thiazole?
4-methyl-2-(7-naphthalen-2-yloxyheptyl)-1,3-thiazole has a molecular weight of 339.50 g/mol, XLogP of 6.18, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(7-naphthalen-2-yloxyheptyl)-1,3-thiazole is sourced from PubChem (CID 5272773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).