[2-(2,5-dimethylphenyl)imino-1,3-thiazinan-3-yl]-naphthalen-2-ylmethanone

C23H22N2OS — CID 7943468

IUPAC[2-(2,5-dimethylphenyl)imino-1,3-thiazinan-3-yl]-naphthalen-2-ylmethanone
SMILESCc1ccc(C)c(/N=C2\SCCCN2C(=O)c2ccc3ccccc3c2)c1
InChIInChI=1S/C23H22N2OS/c1-16-8-9-17(2)21(14-16)24-23-25(12-5-13-27-23)22(26)20-11-10-18-6-3-4-7-19(18)15-20/h3-4,6-11,14-15H,5,12-13H2,1-2H3/b24-23-
InChIKeyLSBFWADHXIUMOM-VHXPQNKSSA-N
MW374.51 g/mol
LogP5.72
Rot. Bonds2

About [2-(2,5-dimethylphenyl)imino-1,3-thiazinan-3-yl]-naphthalen-2-ylmethanone

[2-(2,5-dimethylphenyl)imino-1,3-thiazinan-3-yl]-naphthalen-2-ylmethanone (PubChem CID 7943468) has the molecular formula C23H22N2OS and a molecular weight of 374.51 g/mol. Its IUPAC name is [2-(2,5-dimethylphenyl)imino-1,3-thiazinan-3-yl]-naphthalen-2-ylmethanone.

Molecular Properties

Compound Name[2-(2,5-dimethylphenyl)imino-1,3-thiazinan-3-yl]-naphthalen-2-ylmethanone
PubChem CID7943468
Molecular FormulaC23H22N2OS
Molecular Weight374.51 g/mol
Exact Mass374.15
IUPAC Name[2-(2,5-dimethylphenyl)imino-1,3-thiazinan-3-yl]-naphthalen-2-ylmethanone
SMILESCc1ccc(C)c(/N=C2\SCCCN2C(=O)c2ccc3ccccc3c2)c1
InChIInChI=1S/C23H22N2OS/c1-16-8-9-17(2)21(14-16)24-23-25(12-5-13-27-23)22(26)20-11-10-18-6-3-4-7-19(18)15-20/h3-4,6-11,14-15H,5,12-13H2,1-2H3/b24-23-
InChIKeyLSBFWADHXIUMOM-VHXPQNKSSA-N
XLogP5.72
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.51
LogP ≤ 55.72
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-(2,5-dimethoxyphenyl)imino-1,3-thiazinan-3-yl]-(3-methylphenyl)methanone
CID 8781045
[2-(4-ethoxyphenyl)imino-1,3-thiazinan-3-yl]-(3-methylphenyl)methanone
CID 7948630
(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-naphthalen-2-ylmethanone
CID 26083928
1-[4-[[3-(3,5-dimethylbenzoyl)-1,3-thiazinan-2-ylidene]amino]phenyl]ethanone
CID 7943621
[2-(2-methylphenyl)imino-1,3-thiazinan-3-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 7947771
[2-(2-methoxy-5-methylphenyl)imino-1,3-thiazinan-3-yl]-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 4276212
1,3-benzothiazol-6-yl-[2-(2,6-dimethylphenyl)imino-1,3-thiazinan-3-yl]methanone
CID 16549450
4-[2-(2,6-dimethylphenyl)imino-1,3-thiazinane-3-carbonyl]benzonitrile
CID 8800345
3-[2-(3-chloro-4-methylphenyl)imino-1,3-thiazinane-3-carbonyl]benzonitrile
CID 7943512
N-propan-2-yl-4-[2-(2-propan-2-ylphenyl)imino-1,3-thiazinane-3-carbonyl]benzenesulfonamide
CID 16592422
(2R)-6-[2-(2-chlorophenyl)imino-1,3-thiazinane-3-carbonyl]-2-methyl-4H-1,4-benzothiazin-3-one
CID 40855992
2-methoxy-5-[2-(2-methylphenyl)imino-1,3-thiazolidine-3-carbonyl]-N-propan-2-ylbenzenesulfonamide
CID 16592442

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethylphenyl)imino-1,3-thiazinan-3-yl]-naphthalen-2-ylmethanone?
The IUPAC name of [2-(2,5-dimethylphenyl)imino-1,3-thiazinan-3-yl]-naphthalen-2-ylmethanone (CID 7943468) is [2-(2,5-dimethylphenyl)imino-1,3-thiazinan-3-yl]-naphthalen-2-ylmethanone.
What is the SMILES notation for [2-(2,5-dimethylphenyl)imino-1,3-thiazinan-3-yl]-naphthalen-2-ylmethanone?
The canonical SMILES for [2-(2,5-dimethylphenyl)imino-1,3-thiazinan-3-yl]-naphthalen-2-ylmethanone is Cc1ccc(C)c(/N=C2\SCCCN2C(=O)c2ccc3ccccc3c2)c1.
What is the InChIKey of [2-(2,5-dimethylphenyl)imino-1,3-thiazinan-3-yl]-naphthalen-2-ylmethanone?
The InChIKey is LSBFWADHXIUMOM-VHXPQNKSSA-N. The full InChI is InChI=1S/C23H22N2OS/c1-16-8-9-17(2)21(14-16)24-23-25(12-5-13-27-23)22(26)20-11-10-18-6-3-4-7-19(18)15-20/h3-4,6-11,14-15H,5,12-13H2,1-2H3/b24-23-.
What are the key properties of [2-(2,5-dimethylphenyl)imino-1,3-thiazinan-3-yl]-naphthalen-2-ylmethanone?
[2-(2,5-dimethylphenyl)imino-1,3-thiazinan-3-yl]-naphthalen-2-ylmethanone has a molecular weight of 374.51 g/mol, XLogP of 5.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethylphenyl)imino-1,3-thiazinan-3-yl]-naphthalen-2-ylmethanone is sourced from PubChem (CID 7943468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).