4-ethyl-5-methyl-2-octyl-2,5-dihydro-1,3-thiazole

C14H27NS — CID 6429117

IUPAC4-ethyl-5-methyl-2-octyl-2,5-dihydro-1,3-thiazole
SMILESCCCCCCCCC1N=C(CC)C(C)S1
InChIInChI=1S/C14H27NS/c1-4-6-7-8-9-10-11-14-15-13(5-2)12(3)16-14/h12,14H,4-11H2,1-3H3
InChIKeyMHDROSFBIWDYEP-UHFFFAOYSA-N
MW241.44 g/mol
LogP5.05
Rot. Bonds8

About 4-ethyl-5-methyl-2-octyl-2,5-dihydro-1,3-thiazole

4-ethyl-5-methyl-2-octyl-2,5-dihydro-1,3-thiazole (PubChem CID 6429117) has the molecular formula C14H27NS and a molecular weight of 241.44 g/mol. Its IUPAC name is 4-ethyl-5-methyl-2-octyl-2,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name4-ethyl-5-methyl-2-octyl-2,5-dihydro-1,3-thiazole
PubChem CID6429117
Molecular FormulaC14H27NS
Molecular Weight241.44 g/mol
Exact Mass241.19
IUPAC Name4-ethyl-5-methyl-2-octyl-2,5-dihydro-1,3-thiazole
SMILESCCCCCCCCC1N=C(CC)C(C)S1
InChIInChI=1S/C14H27NS/c1-4-6-7-8-9-10-11-14-15-13(5-2)12(3)16-14/h12,14H,4-11H2,1-3H3
InChIKeyMHDROSFBIWDYEP-UHFFFAOYSA-N
XLogP5.05
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500241.44
LogP ≤ 55.05
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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Launch Full Analysis

Related Compounds

4-methyl-2-nonyl-1,3-oxathiolan-5-one
CID 139877746
4-butyl-2-methyl-6-pentyl-1,3,5-dithiazinane
CID 528748
2,4-dibutyl-2,5-dihydro-1,3-thiazole
CID 174871474
2,3,5,6-tetrabutyl-1,4-dithiane
CID 20721731
3-undecylthiirane-2-thione
CID 174998073
(2S,5R)-2-ethyl-4,5-dimethyl-2,5-dihydro-1,3-thiazole
CID 37030033
2-chloro-4-octyl-4,5-dihydro-1,3-thiazole
CID 175989039
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
dohexacontane
CID 522644
decane;heptane
CID 159049036
2-butyl-3-undecyloxirane
CID 88518775

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methyl-2-octyl-2,5-dihydro-1,3-thiazole?
The IUPAC name of 4-ethyl-5-methyl-2-octyl-2,5-dihydro-1,3-thiazole (CID 6429117) is 4-ethyl-5-methyl-2-octyl-2,5-dihydro-1,3-thiazole.
What is the SMILES notation for 4-ethyl-5-methyl-2-octyl-2,5-dihydro-1,3-thiazole?
The canonical SMILES for 4-ethyl-5-methyl-2-octyl-2,5-dihydro-1,3-thiazole is CCCCCCCCC1N=C(CC)C(C)S1.
What is the InChIKey of 4-ethyl-5-methyl-2-octyl-2,5-dihydro-1,3-thiazole?
The InChIKey is MHDROSFBIWDYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NS/c1-4-6-7-8-9-10-11-14-15-13(5-2)12(3)16-14/h12,14H,4-11H2,1-3H3.
What are the key properties of 4-ethyl-5-methyl-2-octyl-2,5-dihydro-1,3-thiazole?
4-ethyl-5-methyl-2-octyl-2,5-dihydro-1,3-thiazole has a molecular weight of 241.44 g/mol, XLogP of 5.05, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methyl-2-octyl-2,5-dihydro-1,3-thiazole is sourced from PubChem (CID 6429117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).