[2-(3-chloro-4-methylphenyl)imino-1,3-thiazinan-3-yl]-(4-fluorophenyl)methanone

C18H16ClFN2OS — CID 2670652

IUPAC[2-(3-chloro-4-methylphenyl)imino-1,3-thiazinan-3-yl]-(4-fluorophenyl)methanone
SMILESCc1ccc(/N=C2\SCCCN2C(=O)c2ccc(F)cc2)cc1Cl
InChIInChI=1S/C18H16ClFN2OS/c1-12-3-8-15(11-16(12)19)21-18-22(9-2-10-24-18)17(23)13-4-6-14(20)7-5-13/h3-8,11H,2,9-10H2,1H3/b21-18-
InChIKeyHGBABZYJJGDXQG-UZYVYHOESA-N
MW362.86 g/mol
LogP5.05
Rot. Bonds2

About [2-(3-chloro-4-methylphenyl)imino-1,3-thiazinan-3-yl]-(4-fluorophenyl)methanone

[2-(3-chloro-4-methylphenyl)imino-1,3-thiazinan-3-yl]-(4-fluorophenyl)methanone (PubChem CID 2670652) has the molecular formula C18H16ClFN2OS and a molecular weight of 362.86 g/mol. Its IUPAC name is [2-(3-chloro-4-methylphenyl)imino-1,3-thiazinan-3-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[2-(3-chloro-4-methylphenyl)imino-1,3-thiazinan-3-yl]-(4-fluorophenyl)methanone
PubChem CID2670652
Molecular FormulaC18H16ClFN2OS
Molecular Weight362.86 g/mol
Exact Mass362.07
IUPAC Name[2-(3-chloro-4-methylphenyl)imino-1,3-thiazinan-3-yl]-(4-fluorophenyl)methanone
SMILESCc1ccc(/N=C2\SCCCN2C(=O)c2ccc(F)cc2)cc1Cl
InChIInChI=1S/C18H16ClFN2OS/c1-12-3-8-15(11-16(12)19)21-18-22(9-2-10-24-18)17(23)13-4-6-14(20)7-5-13/h3-8,11H,2,9-10H2,1H3/b21-18-
InChIKeyHGBABZYJJGDXQG-UZYVYHOESA-N
XLogP5.05
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.86
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(3-chloro-4-methylphenyl)imino-1,3-thiazinan-3-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [2-(3-chloro-4-methylphenyl)imino-1,3-thiazinan-3-yl]-(4-fluorophenyl)methanone (CID 2670652) is [2-(3-chloro-4-methylphenyl)imino-1,3-thiazinan-3-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [2-(3-chloro-4-methylphenyl)imino-1,3-thiazinan-3-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [2-(3-chloro-4-methylphenyl)imino-1,3-thiazinan-3-yl]-(4-fluorophenyl)methanone is Cc1ccc(/N=C2\SCCCN2C(=O)c2ccc(F)cc2)cc1Cl.
What is the InChIKey of [2-(3-chloro-4-methylphenyl)imino-1,3-thiazinan-3-yl]-(4-fluorophenyl)methanone?
The InChIKey is HGBABZYJJGDXQG-UZYVYHOESA-N. The full InChI is InChI=1S/C18H16ClFN2OS/c1-12-3-8-15(11-16(12)19)21-18-22(9-2-10-24-18)17(23)13-4-6-14(20)7-5-13/h3-8,11H,2,9-10H2,1H3/b21-18-.
What are the key properties of [2-(3-chloro-4-methylphenyl)imino-1,3-thiazinan-3-yl]-(4-fluorophenyl)methanone?
[2-(3-chloro-4-methylphenyl)imino-1,3-thiazinan-3-yl]-(4-fluorophenyl)methanone has a molecular weight of 362.86 g/mol, XLogP of 5.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-4-methylphenyl)imino-1,3-thiazinan-3-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 2670652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).