4,5-dimethyl-2-octyl-1,3-thiazole

C13H23NS — CID 15847444

IUPAC4,5-dimethyl-2-octyl-1,3-thiazole
SMILESCCCCCCCCc1nc(C)c(C)s1
InChIInChI=1S/C13H23NS/c1-4-5-6-7-8-9-10-13-14-11(2)12(3)15-13/h4-10H2,1-3H3
InChIKeyHGRFDZGIRVFJRV-UHFFFAOYSA-N
MW225.40 g/mol
LogP4.66
Rot. Bonds7

About 4,5-dimethyl-2-octyl-1,3-thiazole

4,5-dimethyl-2-octyl-1,3-thiazole (PubChem CID 15847444) has the molecular formula C13H23NS and a molecular weight of 225.40 g/mol. Its IUPAC name is 4,5-dimethyl-2-octyl-1,3-thiazole.

Molecular Properties

Compound Name4,5-dimethyl-2-octyl-1,3-thiazole
PubChem CID15847444
Molecular FormulaC13H23NS
Molecular Weight225.40 g/mol
Exact Mass225.16
IUPAC Name4,5-dimethyl-2-octyl-1,3-thiazole
SMILESCCCCCCCCc1nc(C)c(C)s1
InChIInChI=1S/C13H23NS/c1-4-5-6-7-8-9-10-13-14-11(2)12(3)15-13/h4-10H2,1-3H3
InChIKeyHGRFDZGIRVFJRV-UHFFFAOYSA-N
XLogP4.66
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.40
LogP ≤ 54.66
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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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-octyl-1,3-thiazole?
The IUPAC name of 4,5-dimethyl-2-octyl-1,3-thiazole (CID 15847444) is 4,5-dimethyl-2-octyl-1,3-thiazole.
What is the SMILES notation for 4,5-dimethyl-2-octyl-1,3-thiazole?
The canonical SMILES for 4,5-dimethyl-2-octyl-1,3-thiazole is CCCCCCCCc1nc(C)c(C)s1.
What is the InChIKey of 4,5-dimethyl-2-octyl-1,3-thiazole?
The InChIKey is HGRFDZGIRVFJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NS/c1-4-5-6-7-8-9-10-13-14-11(2)12(3)15-13/h4-10H2,1-3H3.
What are the key properties of 4,5-dimethyl-2-octyl-1,3-thiazole?
4,5-dimethyl-2-octyl-1,3-thiazole has a molecular weight of 225.40 g/mol, XLogP of 4.66, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-octyl-1,3-thiazole is sourced from PubChem (CID 15847444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).