5-methyl-4-octyl-1,3-thiazole

C12H21NS — CID 166842414

IUPAC5-methyl-4-octyl-1,3-thiazole
SMILESCCCCCCCCc1ncsc1C
InChIInChI=1S/C12H21NS/c1-3-4-5-6-7-8-9-12-11(2)14-10-13-12/h10H,3-9H2,1-2H3
InChIKeyZGGLOEYJDSAANY-UHFFFAOYSA-N
MW211.37 g/mol
LogP4.35
Rot. Bonds7

About 5-methyl-4-octyl-1,3-thiazole

5-methyl-4-octyl-1,3-thiazole (PubChem CID 166842414) has the molecular formula C12H21NS and a molecular weight of 211.37 g/mol. Its IUPAC name is 5-methyl-4-octyl-1,3-thiazole.

Molecular Properties

Compound Name5-methyl-4-octyl-1,3-thiazole
PubChem CID166842414
Molecular FormulaC12H21NS
Molecular Weight211.37 g/mol
Exact Mass211.14
IUPAC Name5-methyl-4-octyl-1,3-thiazole
SMILESCCCCCCCCc1ncsc1C
InChIInChI=1S/C12H21NS/c1-3-4-5-6-7-8-9-12-11(2)14-10-13-12/h10H,3-9H2,1-2H3
InChIKeyZGGLOEYJDSAANY-UHFFFAOYSA-N
XLogP4.35
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.37
LogP ≤ 54.35
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

4-(2-ethyl-3-methyldecyl)-5-methyl-1,3-thiazole
CID 134218387
4,5-diheptyl-[1,3]thiazolo[4,5-g][1,3]benzothiazole
CID 67513422
4-pentyl-1,3-thiazole-5-carboxylic acid
CID 19885521
4-ethyl-5-methyl-1,3-thiazole;methanamine
CID 142407721
4,5,6-trioctylpyrimidine
CID 91147699
4,5,6-tri(nonadecyl)pyrimidine
CID 91803097
4-butyl-5-ethoxy-1,3-thiazole
CID 174918700
4-heptyl-5-methyl-1H-imidazole
CID 89069470
6-hexyl-4,7-dimethyl-1,3-benzothiazole
CID 91133932
14,15-dihexadecyl-5,8-dithia-3,10-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),2(6),3,7(11),9,13,15-heptaene
CID 70798145
4-heptyl-1,3-thiazole;octane
CID 91422595
2,4-dioctadecyl-1,3,5-triazine
CID 91537200

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-octyl-1,3-thiazole?
The IUPAC name of 5-methyl-4-octyl-1,3-thiazole (CID 166842414) is 5-methyl-4-octyl-1,3-thiazole.
What is the SMILES notation for 5-methyl-4-octyl-1,3-thiazole?
The canonical SMILES for 5-methyl-4-octyl-1,3-thiazole is CCCCCCCCc1ncsc1C.
What is the InChIKey of 5-methyl-4-octyl-1,3-thiazole?
The InChIKey is ZGGLOEYJDSAANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NS/c1-3-4-5-6-7-8-9-12-11(2)14-10-13-12/h10H,3-9H2,1-2H3.
What are the key properties of 5-methyl-4-octyl-1,3-thiazole?
5-methyl-4-octyl-1,3-thiazole has a molecular weight of 211.37 g/mol, XLogP of 4.35, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-octyl-1,3-thiazole is sourced from PubChem (CID 166842414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).