2-(4-chloro-3-methylphenoxy)-1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone

C19H19ClN2O2S — CID 2664250

IUPAC2-(4-chloro-3-methylphenoxy)-1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone
SMILESCc1cc(OCC(=O)N2CCCS/C2=N\c2ccccc2)ccc1Cl
InChIInChI=1S/C19H19ClN2O2S/c1-14-12-16(8-9-17(14)20)24-13-18(23)22-10-5-11-25-19(22)21-15-6-3-2-4-7-15/h2-4,6-9,12H,5,10-11,13H2,1H3/b21-19-
InChIKeySCAICCQJFLVIIS-VZCXRCSSSA-N
MW374.89 g/mol
LogP4.68
Rot. Bonds4

About 2-(4-chloro-3-methylphenoxy)-1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone

2-(4-chloro-3-methylphenoxy)-1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone (PubChem CID 2664250) has the molecular formula C19H19ClN2O2S and a molecular weight of 374.89 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone
PubChem CID2664250
Molecular FormulaC19H19ClN2O2S
Molecular Weight374.89 g/mol
Exact Mass374.09
IUPAC Name2-(4-chloro-3-methylphenoxy)-1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone
SMILESCc1cc(OCC(=O)N2CCCS/C2=N\c2ccccc2)ccc1Cl
InChIInChI=1S/C19H19ClN2O2S/c1-14-12-16(8-9-17(14)20)24-13-18(23)22-10-5-11-25-19(22)21-15-6-3-2-4-7-15/h2-4,6-9,12H,5,10-11,13H2,1H3/b21-19-
InChIKeySCAICCQJFLVIIS-VZCXRCSSSA-N
XLogP4.68
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.89
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(4-chloro-3-methylphenoxy)-1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone (CID 2664250) is 2-(4-chloro-3-methylphenoxy)-1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone is Cc1cc(OCC(=O)N2CCCS/C2=N\c2ccccc2)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone?
The InChIKey is SCAICCQJFLVIIS-VZCXRCSSSA-N. The full InChI is InChI=1S/C19H19ClN2O2S/c1-14-12-16(8-9-17(14)20)24-13-18(23)22-10-5-11-25-19(22)21-15-6-3-2-4-7-15/h2-4,6-9,12H,5,10-11,13H2,1H3/b21-19-.
What are the key properties of 2-(4-chloro-3-methylphenoxy)-1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone?
2-(4-chloro-3-methylphenoxy)-1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone has a molecular weight of 374.89 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone is sourced from PubChem (CID 2664250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).