2,4-dimethyl-1,3-thiazole;octane

C13H25NS — CID 145323781

IUPAC2,4-dimethyl-1,3-thiazole;octane
SMILESCCCCCCCC.Cc1csc(C)n1
InChIInChI=1S/C8H18.C5H7NS/c1-3-5-7-8-6-4-2;1-4-3-7-5(2)6-4/h3-8H2,1-2H3;3H,1-2H3
InChIKeyOMJILSYSYDXDGO-UHFFFAOYSA-N
MW227.42 g/mol
LogP5.13
Rot. Bonds5

About 2,4-dimethyl-1,3-thiazole;octane

2,4-dimethyl-1,3-thiazole;octane (PubChem CID 145323781) has the molecular formula C13H25NS and a molecular weight of 227.42 g/mol. Its IUPAC name is 2,4-dimethyl-1,3-thiazole;octane.

Molecular Properties

Compound Name2,4-dimethyl-1,3-thiazole;octane
PubChem CID145323781
Molecular FormulaC13H25NS
Molecular Weight227.42 g/mol
Exact Mass227.17
IUPAC Name2,4-dimethyl-1,3-thiazole;octane
SMILESCCCCCCCC.Cc1csc(C)n1
InChIInChI=1S/C8H18.C5H7NS/c1-3-5-7-8-6-4-2;1-4-3-7-5(2)6-4/h3-8H2,1-2H3;3H,1-2H3
InChIKeyOMJILSYSYDXDGO-UHFFFAOYSA-N
XLogP5.13
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500227.42
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethyl-1,3-thiazole;2,5-dimethylthiophene;methane;pentane;propane;1,4-xylene
CID 159820055
N-methyl-2-(4-methyl-1,3-thiazol-2-yl)octan-2-amine
CID 61331516
1-(2-methyl-1,3-thiazol-4-yl)heptan-1-amine
CID 105126219
1-(4-methyl-1,3-thiazol-2-yl)octan-1-amine
CID 61331846
1-(4-methyl-1,3-thiazol-2-yl)heptan-2-amine
CID 62796871
N-[(4-methyl-1,3-thiazol-2-yl)methyl]hexan-1-amine
CID 61042868
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]nonan-1-amine
CID 106045197
1-(4-methyl-1,3-thiazol-2-yl)hexan-1-ol
CID 104769495
1-(2-methyl-1,3-thiazol-4-yl)tetradecan-2-one
CID 63409908
1-(2-methyl-1,3-thiazol-4-yl)undecan-2-ol
CID 62798439
1-(4-methyl-1,3-thiazol-2-yl)-N-propylundecan-2-amine
CID 63416762
N-(4-methyl-1,3-thiazol-2-yl)tetradecanamide
CID 139176889

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1,3-thiazole;octane?
The IUPAC name of 2,4-dimethyl-1,3-thiazole;octane (CID 145323781) is 2,4-dimethyl-1,3-thiazole;octane.
What is the SMILES notation for 2,4-dimethyl-1,3-thiazole;octane?
The canonical SMILES for 2,4-dimethyl-1,3-thiazole;octane is CCCCCCCC.Cc1csc(C)n1.
What is the InChIKey of 2,4-dimethyl-1,3-thiazole;octane?
The InChIKey is OMJILSYSYDXDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18.C5H7NS/c1-3-5-7-8-6-4-2;1-4-3-7-5(2)6-4/h3-8H2,1-2H3;3H,1-2H3.
What are the key properties of 2,4-dimethyl-1,3-thiazole;octane?
2,4-dimethyl-1,3-thiazole;octane has a molecular weight of 227.42 g/mol, XLogP of 5.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1,3-thiazole;octane is sourced from PubChem (CID 145323781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).