(2-fluorophenyl)-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]methanone

C18H17FN2OS — CID 7947794

IUPAC(2-fluorophenyl)-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]methanone
SMILESCc1ccccc1/N=C1\SCCCN1C(=O)c1ccccc1F
InChIInChI=1S/C18H17FN2OS/c1-13-7-2-5-10-16(13)20-18-21(11-6-12-23-18)17(22)14-8-3-4-9-15(14)19/h2-5,7-10H,6,11-12H2,1H3/b20-18-
InChIKeyOQGJXLVMRLGSSV-ZZEZOPTASA-N
MW328.41 g/mol
LogP4.40
Rot. Bonds2

About (2-fluorophenyl)-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]methanone

(2-fluorophenyl)-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]methanone (PubChem CID 7947794) has the molecular formula C18H17FN2OS and a molecular weight of 328.41 g/mol. Its IUPAC name is (2-fluorophenyl)-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]methanone
PubChem CID7947794
Molecular FormulaC18H17FN2OS
Molecular Weight328.41 g/mol
Exact Mass328.10
IUPAC Name(2-fluorophenyl)-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]methanone
SMILESCc1ccccc1/N=C1\SCCCN1C(=O)c1ccccc1F
InChIInChI=1S/C18H17FN2OS/c1-13-7-2-5-10-16(13)20-18-21(11-6-12-23-18)17(22)14-8-3-4-9-15(14)19/h2-5,7-10H,6,11-12H2,1H3/b20-18-
InChIKeyOQGJXLVMRLGSSV-ZZEZOPTASA-N
XLogP4.40
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-fluorophenyl)-(2-phenylimino-1,3-thiazinan-3-yl)methanone
CID 832819
2-(2-methoxyphenoxy)-1-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone
CID 8746575
2-(2-chlorophenoxy)-1-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]ethanone
CID 7947850
[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]-(4-morpholin-4-yl-3-nitrophenyl)methanone
CID 18284435
1-[4-[2-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]-2-oxoethoxy]phenyl]propan-1-one
CID 8746600
[(5R)-2-(2-chlorophenyl)imino-5-methyl-1,3-thiazolidin-3-yl]-(2-fluorophenyl)methanone
CID 832823
1-(2-fluorobenzoyl)pyrrolidin-2-one
CID 770090
2,3-dihydro-1-benzothiophen-2-yl-[2-(2-methylphenyl)imino-1,3-thiazolidin-3-yl]methanone
CID 18229777
[2-(2-chlorophenyl)imino-1,3-thiazinan-3-yl]-cyclopentylmethanone
CID 7921363
10-[2-[2-(2-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-oxoethyl]acridin-9-one
CID 16605495
N-propan-2-yl-4-[2-(2-propan-2-ylphenyl)imino-1,3-thiazinane-3-carbonyl]benzenesulfonamide
CID 16592422
1-[2-(2-chlorophenyl)imino-1,3-thiazinan-3-yl]-2-(2,5-dimethylphenoxy)ethanone
CID 18286293

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]methanone?
The IUPAC name of (2-fluorophenyl)-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]methanone (CID 7947794) is (2-fluorophenyl)-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]methanone.
What is the SMILES notation for (2-fluorophenyl)-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]methanone?
The canonical SMILES for (2-fluorophenyl)-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]methanone is Cc1ccccc1/N=C1\SCCCN1C(=O)c1ccccc1F.
What is the InChIKey of (2-fluorophenyl)-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]methanone?
The InChIKey is OQGJXLVMRLGSSV-ZZEZOPTASA-N. The full InChI is InChI=1S/C18H17FN2OS/c1-13-7-2-5-10-16(13)20-18-21(11-6-12-23-18)17(22)14-8-3-4-9-15(14)19/h2-5,7-10H,6,11-12H2,1H3/b20-18-.
What are the key properties of (2-fluorophenyl)-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]methanone?
(2-fluorophenyl)-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]methanone has a molecular weight of 328.41 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]methanone is sourced from PubChem (CID 7947794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).