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

C10H10N2OS — CID 171370249

IUPAC2-imino-6-phenyl-1,3-thiazinan-4-one
SMILES[H]/N=C1/NC(=O)CC(c2ccccc2)S1
InChIInChI=1S/C10H10N2OS/c11-10-12-9(13)6-8(14-10)7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,11,12,13)
InChIKeyXUNWWYMPVATWGZ-UHFFFAOYSA-N
MW206.27 g/mol
LogP1.92
Rot. Bonds1

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

2-imino-6-phenyl-1,3-thiazinan-4-one (PubChem CID 171370249) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is 2-imino-6-phenyl-1,3-thiazinan-4-one.

Molecular Properties

Compound Name2-imino-6-phenyl-1,3-thiazinan-4-one
PubChem CID171370249
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC Name2-imino-6-phenyl-1,3-thiazinan-4-one
SMILES[H]/N=C1/NC(=O)CC(c2ccccc2)S1
InChIInChI=1S/C10H10N2OS/c11-10-12-9(13)6-8(14-10)7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,11,12,13)
InChIKeyXUNWWYMPVATWGZ-UHFFFAOYSA-N
XLogP1.92
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-imino-6-phenyl-1,3-thiazinan-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one
CID 738643
2-imino-8-phenyl-7,9-dioxa-1-thia-3-azaspiro[4.5]decan-4-one
CID 137346494
(2R)-2-(3-bromophenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one
CID 6923688
2-imino-N-(4-methylphenyl)-4-oxo-1,3-thiazinane-6-carboxamide
CID 138376669
6-tert-butyl-2-phenyl-2,3-dihydrothiopyran-4-one
CID 102383505
2-imino-5-phenacyl-1,3-thiazolidin-4-one
CID 138978177
ethane;(3R)-3-phenylpyrrolidine-2,5-dione
CID 91585654
3-methyl-6-phenyl-2-sulfanylidene-1,3-thiazinan-4-one
CID 14142764
6-phenyl-1,3-diazepane-2,4-dione
CID 12795443
3-phenylpyrrolidine-2,5-dione;pyrrole-2,5-dione
CID 161444852
2-imino-5-[3-[phenyl-[[(1R)-1-phenylethyl]amino]methyl]phenyl]-1,3-thiazolidin-4-one
CID 172686647
(7S)-7-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 42559090

Frequently Asked Questions

What is the IUPAC name of 2-imino-6-phenyl-1,3-thiazinan-4-one?
The IUPAC name of 2-imino-6-phenyl-1,3-thiazinan-4-one (CID 171370249) is 2-imino-6-phenyl-1,3-thiazinan-4-one.
What is the SMILES notation for 2-imino-6-phenyl-1,3-thiazinan-4-one?
The canonical SMILES for 2-imino-6-phenyl-1,3-thiazinan-4-one is [H]/N=C1/NC(=O)CC(c2ccccc2)S1.
What is the InChIKey of 2-imino-6-phenyl-1,3-thiazinan-4-one?
The InChIKey is XUNWWYMPVATWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS/c11-10-12-9(13)6-8(14-10)7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,11,12,13).
What are the key properties of 2-imino-6-phenyl-1,3-thiazinan-4-one?
2-imino-6-phenyl-1,3-thiazinan-4-one has a molecular weight of 206.27 g/mol, XLogP of 1.92, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-6-phenyl-1,3-thiazinan-4-one is sourced from PubChem (CID 171370249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).