2-hexyl-4,4-dimethyl-5H-1,3-thiazole

C11H21NS — CID 102476975

IUPAC2-hexyl-4,4-dimethyl-5H-1,3-thiazole
SMILESCCCCCCC1=NC(C)(C)CS1
InChIInChI=1S/C11H21NS/c1-4-5-6-7-8-10-12-11(2,3)9-13-10/h4-9H2,1-3H3
InChIKeyMDVMHNJCMXUQDB-UHFFFAOYSA-N
MW199.36 g/mol
LogP3.88
Rot. Bonds5

About 2-hexyl-4,4-dimethyl-5H-1,3-thiazole

2-hexyl-4,4-dimethyl-5H-1,3-thiazole (PubChem CID 102476975) has the molecular formula C11H21NS and a molecular weight of 199.36 g/mol. Its IUPAC name is 2-hexyl-4,4-dimethyl-5H-1,3-thiazole.

Molecular Properties

Compound Name2-hexyl-4,4-dimethyl-5H-1,3-thiazole
PubChem CID102476975
Molecular FormulaC11H21NS
Molecular Weight199.36 g/mol
Exact Mass199.14
IUPAC Name2-hexyl-4,4-dimethyl-5H-1,3-thiazole
SMILESCCCCCCC1=NC(C)(C)CS1
InChIInChI=1S/C11H21NS/c1-4-5-6-7-8-10-12-11(2,3)9-13-10/h4-9H2,1-3H3
InChIKeyMDVMHNJCMXUQDB-UHFFFAOYSA-N
XLogP3.88
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.36
LogP ≤ 53.88
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-pentyl-5,6-dihydro-1,3-thiazin-4-ol
CID 143928651
4-ethyl-4-methyl-2-undecyl-5H-1,3-oxazole
CID 143317146
3,5,5-trimethyl-2-undecyl-4H-imidazole
CID 19843975
2-[(E)-heptadec-8-enyl]-4,4-dimethyl-5H-1,3-oxazole
CID 5370405
2-[(9E,11Z)-heptadeca-9,11-dienyl]-4,4-dimethyl-5H-1,3-oxazole
CID 91712819
2-[(9E,11E)-heptadeca-9,11-dienyl]-4,4-dimethyl-5H-1,3-oxazole
CID 5370410
2-dodecyl-4-methyl-4-(trifluoromethyl)-5H-1,3-oxazole
CID 67928410
3-octyl-4,5-dihydro-1,2-thiazole
CID 22238552
4,5-dihexyl-3,6-dimethylpyridazine
CID 58250570
4-octadecyl-5H-1,3-thiazole-2-thione
CID 21324769
2-henicosan-11-yl-4,4-dimethyl-5H-1,3-oxazole
CID 13410462
1,2-diheptylcyclopropene
CID 557048

Frequently Asked Questions

What is the IUPAC name of 2-hexyl-4,4-dimethyl-5H-1,3-thiazole?
The IUPAC name of 2-hexyl-4,4-dimethyl-5H-1,3-thiazole (CID 102476975) is 2-hexyl-4,4-dimethyl-5H-1,3-thiazole.
What is the SMILES notation for 2-hexyl-4,4-dimethyl-5H-1,3-thiazole?
The canonical SMILES for 2-hexyl-4,4-dimethyl-5H-1,3-thiazole is CCCCCCC1=NC(C)(C)CS1.
What is the InChIKey of 2-hexyl-4,4-dimethyl-5H-1,3-thiazole?
The InChIKey is MDVMHNJCMXUQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NS/c1-4-5-6-7-8-10-12-11(2,3)9-13-10/h4-9H2,1-3H3.
What are the key properties of 2-hexyl-4,4-dimethyl-5H-1,3-thiazole?
2-hexyl-4,4-dimethyl-5H-1,3-thiazole has a molecular weight of 199.36 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-4,4-dimethyl-5H-1,3-thiazole is sourced from PubChem (CID 102476975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).