N-(3-chloro-4-methylphenyl)-1-(10-methylphenothiazin-3-yl)methanimine

C21H17ClN2S — CID 2335318

IUPACN-(3-chloro-4-methylphenyl)-1-(10-methylphenothiazin-3-yl)methanimine
SMILESCc1ccc(/N=C/c2ccc3c(c2)Sc2ccccc2N3C)cc1Cl
InChIInChI=1S/C21H17ClN2S/c1-14-7-9-16(12-17(14)22)23-13-15-8-10-19-21(11-15)25-20-6-4-3-5-18(20)24(19)2/h3-13H,1-2H3/b23-13+
InChIKeyLZEPSSIAUROHMK-YDZHTSKRSA-N
MW364.90 g/mol
LogP6.63
Rot. Bonds2

About N-(3-chloro-4-methylphenyl)-1-(10-methylphenothiazin-3-yl)methanimine

N-(3-chloro-4-methylphenyl)-1-(10-methylphenothiazin-3-yl)methanimine (PubChem CID 2335318) has the molecular formula C21H17ClN2S and a molecular weight of 364.90 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-1-(10-methylphenothiazin-3-yl)methanimine.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-1-(10-methylphenothiazin-3-yl)methanimine
PubChem CID2335318
Molecular FormulaC21H17ClN2S
Molecular Weight364.90 g/mol
Exact Mass364.08
IUPAC NameN-(3-chloro-4-methylphenyl)-1-(10-methylphenothiazin-3-yl)methanimine
SMILESCc1ccc(/N=C/c2ccc3c(c2)Sc2ccccc2N3C)cc1Cl
InChIInChI=1S/C21H17ClN2S/c1-14-7-9-16(12-17(14)22)23-13-15-8-10-19-21(11-15)25-20-6-4-3-5-18(20)24(19)2/h3-13H,1-2H3/b23-13+
InChIKeyLZEPSSIAUROHMK-YDZHTSKRSA-N
XLogP6.63
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.90
LogP ≤ 56.63
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 N-(3-chloro-4-methylphenyl)-1-(10-methylphenothiazin-3-yl)methanimine?
The IUPAC name of N-(3-chloro-4-methylphenyl)-1-(10-methylphenothiazin-3-yl)methanimine (CID 2335318) is N-(3-chloro-4-methylphenyl)-1-(10-methylphenothiazin-3-yl)methanimine.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-1-(10-methylphenothiazin-3-yl)methanimine?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-1-(10-methylphenothiazin-3-yl)methanimine is Cc1ccc(/N=C/c2ccc3c(c2)Sc2ccccc2N3C)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-1-(10-methylphenothiazin-3-yl)methanimine?
The InChIKey is LZEPSSIAUROHMK-YDZHTSKRSA-N. The full InChI is InChI=1S/C21H17ClN2S/c1-14-7-9-16(12-17(14)22)23-13-15-8-10-19-21(11-15)25-20-6-4-3-5-18(20)24(19)2/h3-13H,1-2H3/b23-13+.
What are the key properties of N-(3-chloro-4-methylphenyl)-1-(10-methylphenothiazin-3-yl)methanimine?
N-(3-chloro-4-methylphenyl)-1-(10-methylphenothiazin-3-yl)methanimine has a molecular weight of 364.90 g/mol, XLogP of 6.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-1-(10-methylphenothiazin-3-yl)methanimine is sourced from PubChem (CID 2335318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).