(Z)-3-benzyl-6-methyl-N-[(Z)-(4-methylphenyl)methylideneamino]-1,3-benzothiazol-2-imine

C23H21N3S — CID 7312942

IUPAC(Z)-3-benzyl-6-methyl-N-[(Z)-(4-methylphenyl)methylideneamino]-1,3-benzothiazol-2-imine
SMILESCc1ccc(/C=N\N=c2\sc3cc(C)ccc3n2Cc2ccccc2)cc1
InChIInChI=1S/C23H21N3S/c1-17-8-11-19(12-9-17)15-24-25-23-26(16-20-6-4-3-5-7-20)21-13-10-18(2)14-22(21)27-23/h3-15H,16H2,1-2H3/b24-15-,25-23+
InChIKeyHZQSRNJTPMWXMS-WOJCEHEGSA-N
MW371.51 g/mol
LogP5.30
Rot. Bonds4

About (Z)-3-benzyl-6-methyl-N-[(Z)-(4-methylphenyl)methylideneamino]-1,3-benzothiazol-2-imine

(Z)-3-benzyl-6-methyl-N-[(Z)-(4-methylphenyl)methylideneamino]-1,3-benzothiazol-2-imine (PubChem CID 7312942) has the molecular formula C23H21N3S and a molecular weight of 371.51 g/mol. Its IUPAC name is (Z)-3-benzyl-6-methyl-N-[(Z)-(4-methylphenyl)methylideneamino]-1,3-benzothiazol-2-imine.

Molecular Properties

Compound Name(Z)-3-benzyl-6-methyl-N-[(Z)-(4-methylphenyl)methylideneamino]-1,3-benzothiazol-2-imine
PubChem CID7312942
Molecular FormulaC23H21N3S
Molecular Weight371.51 g/mol
Exact Mass371.15
IUPAC Name(Z)-3-benzyl-6-methyl-N-[(Z)-(4-methylphenyl)methylideneamino]-1,3-benzothiazol-2-imine
SMILESCc1ccc(/C=N\N=c2\sc3cc(C)ccc3n2Cc2ccccc2)cc1
InChIInChI=1S/C23H21N3S/c1-17-8-11-19(12-9-17)15-24-25-23-26(16-20-6-4-3-5-7-20)21-13-10-18(2)14-22(21)27-23/h3-15H,16H2,1-2H3/b24-15-,25-23+
InChIKeyHZQSRNJTPMWXMS-WOJCEHEGSA-N
XLogP5.30
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.51
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(E)-[(E)-(3-benzyl-6-methyl-1,3-benzothiazol-2-ylidene)hydrazinylidene]methyl]phenol
CID 135642956
4-[(Z)-[(Z)-(3-benzyl-6-methyl-1,3-benzothiazol-2-ylidene)hydrazinylidene]methyl]-6-nitrobenzene-1,3-diol
CID 171978648
4-[(E)-[(Z)-(3-benzyl-6-methyl-1,3-benzothiazol-2-ylidene)hydrazinylidene]methyl]-6-nitrobenzene-1,3-diol
CID 135588529
3-benzyl-6-methyl-1,3-benzothiazol-2-one
CID 54248181
2-[(E)-[(Z)-(3-benzyl-1,3-benzothiazol-2-ylidene)hydrazinylidene]methyl]-4-methoxyphenol
CID 135618877
N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-3-phenylpropanamide
CID 4227838
4-benzyl-N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]benzamide
CID 4123898
N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]propanamide
CID 5073898
9-benzyl-2-[(E)-2-(4-methylphenyl)ethenyl]-7-[(E)-2-phenylethenyl]carbazole
CID 89277250
6-methyl-N,3-diphenyl-1,3-benzothiazol-2-imine
CID 14690176
N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-2-phenoxyacetamide
CID 4650559
N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-4-phenylbenzamide
CID 3623281

Frequently Asked Questions

What is the IUPAC name of (Z)-3-benzyl-6-methyl-N-[(Z)-(4-methylphenyl)methylideneamino]-1,3-benzothiazol-2-imine?
The IUPAC name of (Z)-3-benzyl-6-methyl-N-[(Z)-(4-methylphenyl)methylideneamino]-1,3-benzothiazol-2-imine (CID 7312942) is (Z)-3-benzyl-6-methyl-N-[(Z)-(4-methylphenyl)methylideneamino]-1,3-benzothiazol-2-imine.
What is the SMILES notation for (Z)-3-benzyl-6-methyl-N-[(Z)-(4-methylphenyl)methylideneamino]-1,3-benzothiazol-2-imine?
The canonical SMILES for (Z)-3-benzyl-6-methyl-N-[(Z)-(4-methylphenyl)methylideneamino]-1,3-benzothiazol-2-imine is Cc1ccc(/C=N\N=c2\sc3cc(C)ccc3n2Cc2ccccc2)cc1.
What is the InChIKey of (Z)-3-benzyl-6-methyl-N-[(Z)-(4-methylphenyl)methylideneamino]-1,3-benzothiazol-2-imine?
The InChIKey is HZQSRNJTPMWXMS-WOJCEHEGSA-N. The full InChI is InChI=1S/C23H21N3S/c1-17-8-11-19(12-9-17)15-24-25-23-26(16-20-6-4-3-5-7-20)21-13-10-18(2)14-22(21)27-23/h3-15H,16H2,1-2H3/b24-15-,25-23+.
What are the key properties of (Z)-3-benzyl-6-methyl-N-[(Z)-(4-methylphenyl)methylideneamino]-1,3-benzothiazol-2-imine?
(Z)-3-benzyl-6-methyl-N-[(Z)-(4-methylphenyl)methylideneamino]-1,3-benzothiazol-2-imine has a molecular weight of 371.51 g/mol, XLogP of 5.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-benzyl-6-methyl-N-[(Z)-(4-methylphenyl)methylideneamino]-1,3-benzothiazol-2-imine is sourced from PubChem (CID 7312942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).