4-ethyl-2-pentyl-5,6-dihydro-1,3-thiazin-4-ol

C11H21NOS — CID 143928651

IUPAC4-ethyl-2-pentyl-5,6-dihydro-1,3-thiazin-4-ol
SMILESCCCCCC1=NC(O)(CC)CCS1
InChIInChI=1S/C11H21NOS/c1-3-5-6-7-10-12-11(13,4-2)8-9-14-10/h13H,3-9H2,1-2H3
InChIKeyAZBQUXRZDDOEAG-UHFFFAOYSA-N
MW215.36 g/mol
LogP3.20
Rot. Bonds5

About 4-ethyl-2-pentyl-5,6-dihydro-1,3-thiazin-4-ol

4-ethyl-2-pentyl-5,6-dihydro-1,3-thiazin-4-ol (PubChem CID 143928651) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is 4-ethyl-2-pentyl-5,6-dihydro-1,3-thiazin-4-ol.

Molecular Properties

Compound Name4-ethyl-2-pentyl-5,6-dihydro-1,3-thiazin-4-ol
PubChem CID143928651
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC Name4-ethyl-2-pentyl-5,6-dihydro-1,3-thiazin-4-ol
SMILESCCCCCC1=NC(O)(CC)CCS1
InChIInChI=1S/C11H21NOS/c1-3-5-6-7-10-12-11(13,4-2)8-9-14-10/h13H,3-9H2,1-2H3
InChIKeyAZBQUXRZDDOEAG-UHFFFAOYSA-N
XLogP3.20
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 102476975
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4-ethyl-4-methyl-2-undecyl-5H-1,3-oxazole
CID 143317146
3-octyl-4,5-dihydro-1,2-thiazole
CID 22238552
3-pentyl-1,2-thiazol-4-one
CID 70257179
2,4-dimethyl-6-undecyl-2H-1,3,5-thiadiazine
CID 139928363
4-ethyl-N-hexyl-4-methyl-1,3-thiazinan-2-imine
CID 136757061
1-(5,5-dimethyl-8-octyl-3,4-dihydro-2H-1-benzothiepin-7-yl)ethanol
CID 139626404
1-heptadecylcyclopropan-1-ol
CID 2802251
hexane;1,3,5-trimethylcyclohexane-1,3,5-triol
CID 175548282
5-pentyl-6H-thiatriazine
CID 70166024
3-pentyl-4,5-dihydro-1,2-oxazol-5-ol
CID 67379032

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-pentyl-5,6-dihydro-1,3-thiazin-4-ol?
The IUPAC name of 4-ethyl-2-pentyl-5,6-dihydro-1,3-thiazin-4-ol (CID 143928651) is 4-ethyl-2-pentyl-5,6-dihydro-1,3-thiazin-4-ol.
What is the SMILES notation for 4-ethyl-2-pentyl-5,6-dihydro-1,3-thiazin-4-ol?
The canonical SMILES for 4-ethyl-2-pentyl-5,6-dihydro-1,3-thiazin-4-ol is CCCCCC1=NC(O)(CC)CCS1.
What is the InChIKey of 4-ethyl-2-pentyl-5,6-dihydro-1,3-thiazin-4-ol?
The InChIKey is AZBQUXRZDDOEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NOS/c1-3-5-6-7-10-12-11(13,4-2)8-9-14-10/h13H,3-9H2,1-2H3.
What are the key properties of 4-ethyl-2-pentyl-5,6-dihydro-1,3-thiazin-4-ol?
4-ethyl-2-pentyl-5,6-dihydro-1,3-thiazin-4-ol has a molecular weight of 215.36 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-pentyl-5,6-dihydro-1,3-thiazin-4-ol is sourced from PubChem (CID 143928651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).