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

C14H25NS — CID 86124626

IUPAC2-octyl-4-propyl-1,3-thiazole
SMILESCCCCCCCCc1nc(CCC)cs1
InChIInChI=1S/C14H25NS/c1-3-5-6-7-8-9-11-14-15-13(10-4-2)12-16-14/h12H,3-11H2,1-2H3
InChIKeyCPGDWBVMCYVDOC-UHFFFAOYSA-N
MW239.43 g/mol
LogP5.00
Rot. Bonds9

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

2-octyl-4-propyl-1,3-thiazole (PubChem CID 86124626) has the molecular formula C14H25NS and a molecular weight of 239.43 g/mol. Its IUPAC name is 2-octyl-4-propyl-1,3-thiazole.

Molecular Properties

Compound Name2-octyl-4-propyl-1,3-thiazole
PubChem CID86124626
Molecular FormulaC14H25NS
Molecular Weight239.43 g/mol
Exact Mass239.17
IUPAC Name2-octyl-4-propyl-1,3-thiazole
SMILESCCCCCCCCc1nc(CCC)cs1
InChIInChI=1S/C14H25NS/c1-3-5-6-7-8-9-11-14-15-13(10-4-2)12-16-14/h12H,3-11H2,1-2H3
InChIKeyCPGDWBVMCYVDOC-UHFFFAOYSA-N
XLogP5.00
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.43
LogP ≤ 55.00
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-pentyl-4-propyl-1,3-thiazole
CID 55271530
4-ethyl-2-hexyl-1,3-thiazole
CID 55271529
2-ethyl-4-pentyl-1,3-thiazole
CID 130290438
4-(2-methylpropyl)-2-undecyl-1,3-thiazole
CID 122184889
acetic acid;4-ethyl-2-tridecyl-1,3-thiazole
CID 70113929
(4-pentyl-1,3-thiazol-2-yl)methanamine
CID 69371976
4-dodecyl-2-(4-dodecyl-1,3-thiazol-2-yl)-1,3-thiazole
CID 141353675
N-[(4-hexyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 102625929
2-bromo-4-hexyl-1,3-thiazole
CID 68801320
(2-propyl-1,3-thiazol-4-yl)methanamine;hydrochloride
CID 50944167
1-(4-propyl-1,3-thiazol-2-yl)propan-2-amine
CID 62652679
2-(2-propyl-1,3-thiazol-4-yl)acetonitrile
CID 62929491

Frequently Asked Questions

What is the IUPAC name of 2-octyl-4-propyl-1,3-thiazole?
The IUPAC name of 2-octyl-4-propyl-1,3-thiazole (CID 86124626) is 2-octyl-4-propyl-1,3-thiazole.
What is the SMILES notation for 2-octyl-4-propyl-1,3-thiazole?
The canonical SMILES for 2-octyl-4-propyl-1,3-thiazole is CCCCCCCCc1nc(CCC)cs1.
What is the InChIKey of 2-octyl-4-propyl-1,3-thiazole?
The InChIKey is CPGDWBVMCYVDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NS/c1-3-5-6-7-8-9-11-14-15-13(10-4-2)12-16-14/h12H,3-11H2,1-2H3.
What are the key properties of 2-octyl-4-propyl-1,3-thiazole?
2-octyl-4-propyl-1,3-thiazole has a molecular weight of 239.43 g/mol, XLogP of 5.00, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-octyl-4-propyl-1,3-thiazole is sourced from PubChem (CID 86124626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).