5-ethyl-2-imino-6-phenyl-1,3-thiazinan-4-one

C12H14N2OS — CID 137321833

IUPAC5-ethyl-2-imino-6-phenyl-1,3-thiazinan-4-one
SMILES[H]/N=C1/NC(=O)C(CC)C(c2ccccc2)S1
InChIInChI=1S/C12H14N2OS/c1-2-9-10(8-6-4-3-5-7-8)16-12(13)14-11(9)15/h3-7,9-10H,2H2,1H3,(H2,13,14,15)
InChIKeyDSPNNQXADBZBQL-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.55
Rot. Bonds2

About 5-ethyl-2-imino-6-phenyl-1,3-thiazinan-4-one

5-ethyl-2-imino-6-phenyl-1,3-thiazinan-4-one (PubChem CID 137321833) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 5-ethyl-2-imino-6-phenyl-1,3-thiazinan-4-one.

Molecular Properties

Compound Name5-ethyl-2-imino-6-phenyl-1,3-thiazinan-4-one
PubChem CID137321833
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name5-ethyl-2-imino-6-phenyl-1,3-thiazinan-4-one
SMILES[H]/N=C1/NC(=O)C(CC)C(c2ccccc2)S1
InChIInChI=1S/C12H14N2OS/c1-2-9-10(8-6-4-3-5-7-8)16-12(13)14-11(9)15/h3-7,9-10H,2H2,1H3,(H2,13,14,15)
InChIKeyDSPNNQXADBZBQL-UHFFFAOYSA-N
XLogP2.55
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylpentanamide
CID 4877567
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-propan-2-ylphenyl)propanamide
CID 47242079
CID 137346493
CID 137346493
5-Benzyl-2-imino-1,3-thiazolan-4-one
CID 137629431
5-Benzyl-1,3-thiazolidine-2,4-dione 2-[(1-methylethylidene)hydrazone]
CID 135817227
Acetamide, N-(tetrahydro-4-oxo-5-phenyl-2H-1,3-thiazin-2-ylidene)-
CID 20407
4-Hydroxy-5-methyl-6-phenyl-5,6-dihydro-2H-1,3-thiazin-2-one
CID 3057263
Thiazolidine, 2-imino-3-methyl-4-oxo-5-phenyl-
CID 171383873
Phenylthiodione
CID 232832
2-Amino-5-[(4-methylphenyl)methyl]-1,3-thiazol-4-one
CID 137319891
CID 137319890
CID 137319890
(6R)-6-phenyl-1,3-thiazinane-2,4-dione
CID 95857118

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-imino-6-phenyl-1,3-thiazinan-4-one?
The IUPAC name of 5-ethyl-2-imino-6-phenyl-1,3-thiazinan-4-one (CID 137321833) is 5-ethyl-2-imino-6-phenyl-1,3-thiazinan-4-one.
What is the SMILES notation for 5-ethyl-2-imino-6-phenyl-1,3-thiazinan-4-one?
The canonical SMILES for 5-ethyl-2-imino-6-phenyl-1,3-thiazinan-4-one is [H]/N=C1/NC(=O)C(CC)C(c2ccccc2)S1.
What is the InChIKey of 5-ethyl-2-imino-6-phenyl-1,3-thiazinan-4-one?
The InChIKey is DSPNNQXADBZBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-2-9-10(8-6-4-3-5-7-8)16-12(13)14-11(9)15/h3-7,9-10H,2H2,1H3,(H2,13,14,15).
What are the key properties of 5-ethyl-2-imino-6-phenyl-1,3-thiazinan-4-one?
5-ethyl-2-imino-6-phenyl-1,3-thiazinan-4-one has a molecular weight of 234.32 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-imino-6-phenyl-1,3-thiazinan-4-one is sourced from PubChem (CID 137321833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).