ethane;5-methyl-2-(4-methylphenyl)-1,3-thiazole

C15H23NS — CID 123316346

IUPACethane;5-methyl-2-(4-methylphenyl)-1,3-thiazole
SMILESCC.CC.Cc1ccc(-c2ncc(C)s2)cc1
InChIInChI=1S/C11H11NS.2C2H6/c1-8-3-5-10(6-4-8)11-12-7-9(2)13-11;2*1-2/h3-7H,1-2H3;2*1-2H3
InChIKeyRDAVZADKIDYPOZ-UHFFFAOYSA-N
MW249.42 g/mol
LogP5.48
Rot. Bonds1

About ethane;5-methyl-2-(4-methylphenyl)-1,3-thiazole

ethane;5-methyl-2-(4-methylphenyl)-1,3-thiazole (PubChem CID 123316346) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is ethane;5-methyl-2-(4-methylphenyl)-1,3-thiazole.

Molecular Properties

Compound Nameethane;5-methyl-2-(4-methylphenyl)-1,3-thiazole
PubChem CID123316346
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC Nameethane;5-methyl-2-(4-methylphenyl)-1,3-thiazole
SMILESCC.CC.Cc1ccc(-c2ncc(C)s2)cc1
InChIInChI=1S/C11H11NS.2C2H6/c1-8-3-5-10(6-4-8)11-12-7-9(2)13-11;2*1-2/h3-7H,1-2H3;2*1-2H3
InChIKeyRDAVZADKIDYPOZ-UHFFFAOYSA-N
XLogP5.48
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500249.42
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-2-(4-methylphenyl)-1,3-thiazole?
The IUPAC name of ethane;5-methyl-2-(4-methylphenyl)-1,3-thiazole (CID 123316346) is ethane;5-methyl-2-(4-methylphenyl)-1,3-thiazole.
What is the SMILES notation for ethane;5-methyl-2-(4-methylphenyl)-1,3-thiazole?
The canonical SMILES for ethane;5-methyl-2-(4-methylphenyl)-1,3-thiazole is CC.CC.Cc1ccc(-c2ncc(C)s2)cc1.
What is the InChIKey of ethane;5-methyl-2-(4-methylphenyl)-1,3-thiazole?
The InChIKey is RDAVZADKIDYPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NS.2C2H6/c1-8-3-5-10(6-4-8)11-12-7-9(2)13-11;2*1-2/h3-7H,1-2H3;2*1-2H3.
What are the key properties of ethane;5-methyl-2-(4-methylphenyl)-1,3-thiazole?
ethane;5-methyl-2-(4-methylphenyl)-1,3-thiazole has a molecular weight of 249.42 g/mol, XLogP of 5.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-2-(4-methylphenyl)-1,3-thiazole is sourced from PubChem (CID 123316346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).