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

C12H21NS — CID 11769783

IUPAC2-methyl-4-octyl-1,3-thiazole
SMILESCCCCCCCCc1csc(C)n1
InChIInChI=1S/C12H21NS/c1-3-4-5-6-7-8-9-12-10-14-11(2)13-12/h10H,3-9H2,1-2H3
InChIKeyXWJRYNWEUQOKPJ-UHFFFAOYSA-N
MW211.37 g/mol
LogP4.35
Rot. Bonds7

About 2-methyl-4-octyl-1,3-thiazole

2-methyl-4-octyl-1,3-thiazole (PubChem CID 11769783) has the molecular formula C12H21NS and a molecular weight of 211.37 g/mol. Its IUPAC name is 2-methyl-4-octyl-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-octyl-1,3-thiazole
PubChem CID11769783
Molecular FormulaC12H21NS
Molecular Weight211.37 g/mol
Exact Mass211.14
IUPAC Name2-methyl-4-octyl-1,3-thiazole
SMILESCCCCCCCCc1csc(C)n1
InChIInChI=1S/C12H21NS/c1-3-4-5-6-7-8-9-12-10-14-11(2)13-12/h10H,3-9H2,1-2H3
InChIKeyXWJRYNWEUQOKPJ-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-Ethyl-2-methylthiazole
CID 520568
4-Butylthiazole
CID 567305
2,4-Diethylthiazole
CID 122576
4-Ethyl-2-propylthiazole
CID 521078
2-Ethyl-4-propylthiazole
CID 53754611
4-Butyl-2-methylthiazole
CID 574804
2,4-Dipropylthiazole
CID 588182
2-Butyl-4-methylthiazole
CID 574807
2-Butyl-4-propylthiazole
CID 55295885
4-Ethyl-2-hexylthiazole
CID 55271529
4-Ethyl-2-pentylthiazole
CID 55295884
4-Ethyl-2-heptylthiazole
CID 86124632

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-octyl-1,3-thiazole?
The IUPAC name of 2-methyl-4-octyl-1,3-thiazole (CID 11769783) is 2-methyl-4-octyl-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-octyl-1,3-thiazole?
The canonical SMILES for 2-methyl-4-octyl-1,3-thiazole is CCCCCCCCc1csc(C)n1.
What is the InChIKey of 2-methyl-4-octyl-1,3-thiazole?
The InChIKey is XWJRYNWEUQOKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NS/c1-3-4-5-6-7-8-9-12-10-14-11(2)13-12/h10H,3-9H2,1-2H3.
What are the key properties of 2-methyl-4-octyl-1,3-thiazole?
2-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 2-methyl-4-octyl-1,3-thiazole is sourced from PubChem (CID 11769783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).