(4R,6S)-4-methyl-6-pentyl-2-phenyl-5,6-dihydro-1,3-thiazin-4-ol

C16H23NOS — CID 11747856

IUPAC(4R,6S)-4-methyl-6-pentyl-2-phenyl-5,6-dihydro-1,3-thiazin-4-ol
SMILESCCCCC[C@H]1C[C@@](C)(O)N=C(c2ccccc2)S1
InChIInChI=1S/C16H23NOS/c1-3-4-6-11-14-12-16(2,18)17-15(19-14)13-9-7-5-8-10-13/h5,7-10,14,18H,3-4,6,11-12H2,1-2H3/t14-,16+/m0/s1
InChIKeyWACNRNFZWZLPNR-GOEBONIOSA-N
MW277.43 g/mol
LogP4.23
Rot. Bonds5

About (4R,6S)-4-methyl-6-pentyl-2-phenyl-5,6-dihydro-1,3-thiazin-4-ol

(4R,6S)-4-methyl-6-pentyl-2-phenyl-5,6-dihydro-1,3-thiazin-4-ol (PubChem CID 11747856) has the molecular formula C16H23NOS and a molecular weight of 277.43 g/mol. Its IUPAC name is (4R,6S)-4-methyl-6-pentyl-2-phenyl-5,6-dihydro-1,3-thiazin-4-ol.

Molecular Properties

Compound Name(4R,6S)-4-methyl-6-pentyl-2-phenyl-5,6-dihydro-1,3-thiazin-4-ol
PubChem CID11747856
Molecular FormulaC16H23NOS
Molecular Weight277.43 g/mol
Exact Mass277.15
IUPAC Name(4R,6S)-4-methyl-6-pentyl-2-phenyl-5,6-dihydro-1,3-thiazin-4-ol
SMILESCCCCC[C@H]1C[C@@](C)(O)N=C(c2ccccc2)S1
InChIInChI=1S/C16H23NOS/c1-3-4-6-11-14-12-16(2,18)17-15(19-14)13-9-7-5-8-10-13/h5,7-10,14,18H,3-4,6,11-12H2,1-2H3/t14-,16+/m0/s1
InChIKeyWACNRNFZWZLPNR-GOEBONIOSA-N
XLogP4.23
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4R,6S)-4-methyl-6-pentyl-2-phenyl-5,6-dihydro-1,3-thiazin-4-ol with MolForge

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Related Compounds

3-hexyl-1-phenylcyclobutan-1-ol
CID 10585684
(4R,6R)-4-methyl-2-pentyl-6-phenyl-5,6-dihydro-1,3-selenazin-4-ol
CID 10592048
1,1'-biphenyl;hexadecane
CID 173308514
1-methyl-2-pentylcyclopropan-1-ol
CID 15701982
4-decyl-1,1,2,2-tetramethylcyclopentane
CID 151279869
2-pentadecyl-1-phenylcyclobutan-1-ol
CID 66721936
7,9-diphenyl-3-tetradecyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 86747100
2-methyl-5-phenyl-2-propyl-3H-1,3,4-thiadiazole
CID 4084826
(2S,3R,4R,6S)-4-butyl-1-methyl-3-pentyl-2,6-diphenylpiperidin-1-ium-4-ol
CID 7329365
(1-fluoro-5-pentyl-2-phenylcyclohexa-2,4-dien-1-yl)boronic acid
CID 174994822
trans-(1S,2S)-1-butyl-2-phenylcyclopropan-1-ol
CID 101173351
[1-(2-heptyl-1-phenylsulfanylcyclopropyl)cyclopropyl]sulfanylbenzene
CID 102121474

Frequently Asked Questions

What is the IUPAC name of (4R,6S)-4-methyl-6-pentyl-2-phenyl-5,6-dihydro-1,3-thiazin-4-ol?
The IUPAC name of (4R,6S)-4-methyl-6-pentyl-2-phenyl-5,6-dihydro-1,3-thiazin-4-ol (CID 11747856) is (4R,6S)-4-methyl-6-pentyl-2-phenyl-5,6-dihydro-1,3-thiazin-4-ol.
What is the SMILES notation for (4R,6S)-4-methyl-6-pentyl-2-phenyl-5,6-dihydro-1,3-thiazin-4-ol?
The canonical SMILES for (4R,6S)-4-methyl-6-pentyl-2-phenyl-5,6-dihydro-1,3-thiazin-4-ol is CCCCC[C@H]1C[C@@](C)(O)N=C(c2ccccc2)S1.
What is the InChIKey of (4R,6S)-4-methyl-6-pentyl-2-phenyl-5,6-dihydro-1,3-thiazin-4-ol?
The InChIKey is WACNRNFZWZLPNR-GOEBONIOSA-N. The full InChI is InChI=1S/C16H23NOS/c1-3-4-6-11-14-12-16(2,18)17-15(19-14)13-9-7-5-8-10-13/h5,7-10,14,18H,3-4,6,11-12H2,1-2H3/t14-,16+/m0/s1.
What are the key properties of (4R,6S)-4-methyl-6-pentyl-2-phenyl-5,6-dihydro-1,3-thiazin-4-ol?
(4R,6S)-4-methyl-6-pentyl-2-phenyl-5,6-dihydro-1,3-thiazin-4-ol has a molecular weight of 277.43 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6S)-4-methyl-6-pentyl-2-phenyl-5,6-dihydro-1,3-thiazin-4-ol is sourced from PubChem (CID 11747856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).