(3-chlorophenyl)-[2-(3,4-dimethoxyphenyl)imino-1,3-thiazinan-3-yl]methanone

C19H19ClN2O3S — CID 7916179

IUPAC(3-chlorophenyl)-[2-(3,4-dimethoxyphenyl)imino-1,3-thiazinan-3-yl]methanone
SMILESCOc1ccc(/N=C2\SCCCN2C(=O)c2cccc(Cl)c2)cc1OC
InChIInChI=1S/C19H19ClN2O3S/c1-24-16-8-7-15(12-17(16)25-2)21-19-22(9-4-10-26-19)18(23)13-5-3-6-14(20)11-13/h3,5-8,11-12H,4,9-10H2,1-2H3/b21-19-
InChIKeyJJEMVMDYXVKHBX-VZCXRCSSSA-N
MW390.89 g/mol
LogP4.62
Rot. Bonds4

About (3-chlorophenyl)-[2-(3,4-dimethoxyphenyl)imino-1,3-thiazinan-3-yl]methanone

(3-chlorophenyl)-[2-(3,4-dimethoxyphenyl)imino-1,3-thiazinan-3-yl]methanone (PubChem CID 7916179) has the molecular formula C19H19ClN2O3S and a molecular weight of 390.89 g/mol. Its IUPAC name is (3-chlorophenyl)-[2-(3,4-dimethoxyphenyl)imino-1,3-thiazinan-3-yl]methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-[2-(3,4-dimethoxyphenyl)imino-1,3-thiazinan-3-yl]methanone
PubChem CID7916179
Molecular FormulaC19H19ClN2O3S
Molecular Weight390.89 g/mol
Exact Mass390.08
IUPAC Name(3-chlorophenyl)-[2-(3,4-dimethoxyphenyl)imino-1,3-thiazinan-3-yl]methanone
SMILESCOc1ccc(/N=C2\SCCCN2C(=O)c2cccc(Cl)c2)cc1OC
InChIInChI=1S/C19H19ClN2O3S/c1-24-16-8-7-15(12-17(16)25-2)21-19-22(9-4-10-26-19)18(23)13-5-3-6-14(20)11-13/h3,5-8,11-12H,4,9-10H2,1-2H3/b21-19-
InChIKeyJJEMVMDYXVKHBX-VZCXRCSSSA-N
XLogP4.62
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.89
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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
3-[2-(3-chloro-4-methylphenyl)imino-1,3-thiazinane-3-carbonyl]benzonitrile
CID 7943512
2-[(5S,7R)-3-bromo-1-adamantyl]-1-[2-(3,4-dimethoxyphenyl)imino-1,3-thiazinan-3-yl]ethanone
CID 27806636
[2-(2-methoxy-5-methylphenyl)imino-1,3-thiazinan-3-yl]-(4-nitrophenyl)methanone
CID 3688656
(5,6-dichloro-3-pyridinyl)-(2-phenylimino-1,3-thiazinan-3-yl)methanone
CID 8749122
[4-(5-chloro-2-methoxybenzoyl)-1,4-diazepan-1-yl]-(3-chlorophenyl)methanone
CID 108545174
1-(3-chlorobenzoyl)-8-methoxy-2,3-dihydroquinolin-4-one
CID 110635357
(3-chlorophenyl)-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone
CID 4748242
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-3,4-dimethoxybenzamide
CID 108548796
1-[2-(2,6-dichlorophenyl)imino-1,3-thiazinan-3-yl]ethanone
CID 56693082
1,3-benzothiazol-6-yl-[2-(2,6-dimethylphenyl)imino-1,3-thiazinan-3-yl]methanone
CID 16549450
[4-[(3-chlorobenzoyl)diazenyl]anilino] 3,4-dimethoxybenzoate
CID 5230468

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-[2-(3,4-dimethoxyphenyl)imino-1,3-thiazinan-3-yl]methanone?
The IUPAC name of (3-chlorophenyl)-[2-(3,4-dimethoxyphenyl)imino-1,3-thiazinan-3-yl]methanone (CID 7916179) is (3-chlorophenyl)-[2-(3,4-dimethoxyphenyl)imino-1,3-thiazinan-3-yl]methanone.
What is the SMILES notation for (3-chlorophenyl)-[2-(3,4-dimethoxyphenyl)imino-1,3-thiazinan-3-yl]methanone?
The canonical SMILES for (3-chlorophenyl)-[2-(3,4-dimethoxyphenyl)imino-1,3-thiazinan-3-yl]methanone is COc1ccc(/N=C2\SCCCN2C(=O)c2cccc(Cl)c2)cc1OC.
What is the InChIKey of (3-chlorophenyl)-[2-(3,4-dimethoxyphenyl)imino-1,3-thiazinan-3-yl]methanone?
The InChIKey is JJEMVMDYXVKHBX-VZCXRCSSSA-N. The full InChI is InChI=1S/C19H19ClN2O3S/c1-24-16-8-7-15(12-17(16)25-2)21-19-22(9-4-10-26-19)18(23)13-5-3-6-14(20)11-13/h3,5-8,11-12H,4,9-10H2,1-2H3/b21-19-.
What are the key properties of (3-chlorophenyl)-[2-(3,4-dimethoxyphenyl)imino-1,3-thiazinan-3-yl]methanone?
(3-chlorophenyl)-[2-(3,4-dimethoxyphenyl)imino-1,3-thiazinan-3-yl]methanone has a molecular weight of 390.89 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-[2-(3,4-dimethoxyphenyl)imino-1,3-thiazinan-3-yl]methanone is sourced from PubChem (CID 7916179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).