1-(4-chlorophenyl)-N-[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]methanimine

C21H15ClN2S — CID 5085186

IUPAC1-(4-chlorophenyl)-N-[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]methanimine
SMILESCc1ccc2sc(-c3ccc(/N=C/c4ccc(Cl)cc4)cc3)nc2c1
InChIInChI=1S/C21H15ClN2S/c1-14-2-11-20-19(12-14)24-21(25-20)16-5-9-18(10-6-16)23-13-15-3-7-17(22)8-4-15/h2-13H,1H3/b23-13+
InChIKeyRWTGCLDPQMFQIM-YDZHTSKRSA-N
MW362.89 g/mol
LogP6.68
Rot. Bonds3

About 1-(4-chlorophenyl)-N-[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]methanimine

1-(4-chlorophenyl)-N-[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]methanimine (PubChem CID 5085186) has the molecular formula C21H15ClN2S and a molecular weight of 362.89 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]methanimine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]methanimine
PubChem CID5085186
Molecular FormulaC21H15ClN2S
Molecular Weight362.89 g/mol
Exact Mass362.06
IUPAC Name1-(4-chlorophenyl)-N-[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]methanimine
SMILESCc1ccc2sc(-c3ccc(/N=C/c4ccc(Cl)cc4)cc3)nc2c1
InChIInChI=1S/C21H15ClN2S/c1-14-2-11-20-19(12-14)24-21(25-20)16-5-9-18(10-6-16)23-13-15-3-7-17(22)8-4-15/h2-13H,1H3/b23-13+
InChIKeyRWTGCLDPQMFQIM-YDZHTSKRSA-N
XLogP6.68
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.89
LogP ≤ 56.68
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 1-(4-chlorophenyl)-N-[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]methanimine?
The IUPAC name of 1-(4-chlorophenyl)-N-[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]methanimine (CID 5085186) is 1-(4-chlorophenyl)-N-[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]methanimine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]methanimine?
The canonical SMILES for 1-(4-chlorophenyl)-N-[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]methanimine is Cc1ccc2sc(-c3ccc(/N=C/c4ccc(Cl)cc4)cc3)nc2c1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]methanimine?
The InChIKey is RWTGCLDPQMFQIM-YDZHTSKRSA-N. The full InChI is InChI=1S/C21H15ClN2S/c1-14-2-11-20-19(12-14)24-21(25-20)16-5-9-18(10-6-16)23-13-15-3-7-17(22)8-4-15/h2-13H,1H3/b23-13+.
What are the key properties of 1-(4-chlorophenyl)-N-[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]methanimine?
1-(4-chlorophenyl)-N-[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]methanimine has a molecular weight of 362.89 g/mol, XLogP of 6.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]methanimine is sourced from PubChem (CID 5085186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).