N-benzyl-4-methyl-3-[(4-methylsulfanylphenyl)methylideneamino]-1,3-thiazol-2-imine

C19H19N3S2 — CID 23736817

IUPACN-benzyl-4-methyl-3-[(4-methylsulfanylphenyl)methylideneamino]-1,3-thiazol-2-imine
SMILESCSc1ccc(C=Nn2c(C)cs/c2=N\Cc2ccccc2)cc1
InChIInChI=1S/C19H19N3S2/c1-15-14-24-19(20-12-16-6-4-3-5-7-16)22(15)21-13-17-8-10-18(23-2)11-9-17/h3-11,13-14H,12H2,1-2H3/b20-19-,21-13?
InChIKeyFWGXTEAQEATFBN-XLCBZCFXSA-N
MW353.52 g/mol
LogP4.56
Rot. Bonds5

About N-benzyl-4-methyl-3-[(4-methylsulfanylphenyl)methylideneamino]-1,3-thiazol-2-imine

N-benzyl-4-methyl-3-[(4-methylsulfanylphenyl)methylideneamino]-1,3-thiazol-2-imine (PubChem CID 23736817) has the molecular formula C19H19N3S2 and a molecular weight of 353.52 g/mol. Its IUPAC name is N-benzyl-4-methyl-3-[(4-methylsulfanylphenyl)methylideneamino]-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-benzyl-4-methyl-3-[(4-methylsulfanylphenyl)methylideneamino]-1,3-thiazol-2-imine
PubChem CID23736817
Molecular FormulaC19H19N3S2
Molecular Weight353.52 g/mol
Exact Mass353.10
IUPAC NameN-benzyl-4-methyl-3-[(4-methylsulfanylphenyl)methylideneamino]-1,3-thiazol-2-imine
SMILESCSc1ccc(C=Nn2c(C)cs/c2=N\Cc2ccccc2)cc1
InChIInChI=1S/C19H19N3S2/c1-15-14-24-19(20-12-16-6-4-3-5-7-16)22(15)21-13-17-8-10-18(23-2)11-9-17/h3-11,13-14H,12H2,1-2H3/b20-19-,21-13?
InChIKeyFWGXTEAQEATFBN-XLCBZCFXSA-N
XLogP4.56
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.52
LogP ≤ 54.56
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

4-[(2-benzylimino-4-methyl-1,3-thiazol-3-yl)iminomethyl]benzonitrile
CID 23882028
4-(2-methoxyphenyl)-3-[(4-methylsulfanylphenyl)methylideneamino]-N-prop-2-enyl-1,3-thiazol-2-imine
CID 23824278
4-(4-fluorophenyl)-3-[(4-methylsulfanylphenyl)methylideneamino]-N-prop-2-enyl-1,3-thiazol-2-imine
CID 2401260
4-(2-fluorophenyl)-N-(2-methylprop-2-enyl)-3-[(4-methylsulfanylphenyl)methylideneamino]-1,3-thiazol-2-imine
CID 23790499
(E)-4-(3-bromophenyl)-N-ethyl-3-[(E)-(4-methylsulfanylphenyl)methylideneamino]-1,3-thiazol-2-imine
CID 6901121
3-[[4-methyl-2-(2-phenylethylimino)-1,3-thiazol-3-yl]iminomethyl]benzene-1,2-diol
CID 135692917
(Z)-N-ethyl-3-[(Z)-(4-fluorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-imine
CID 7959628
(Z)-3-[(Z)-benzylideneamino]-N-ethyl-4-phenyl-1,3-thiazol-2-imine
CID 7959634
4-(furan-2-yl)-3-[(4-methylsulfanylphenyl)methylideneamino]-N-propan-2-yl-1,3-thiazol-2-imine
CID 23820197
2-ethoxy-4-[(2-ethylimino-4-methyl-1,3-thiazol-3-yl)iminomethyl]phenol
CID 135618841
(Z)-N-(3-benzyl-5-methylsulfanyl-1,2,4-triazol-4-yl)-1-(4-chlorophenyl)methanimine
CID 110522248
4-[(4-methyl-2-methylimino-1,3-thiazol-3-yl)iminomethyl]benzonitrile
CID 2455890

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-methyl-3-[(4-methylsulfanylphenyl)methylideneamino]-1,3-thiazol-2-imine?
The IUPAC name of N-benzyl-4-methyl-3-[(4-methylsulfanylphenyl)methylideneamino]-1,3-thiazol-2-imine (CID 23736817) is N-benzyl-4-methyl-3-[(4-methylsulfanylphenyl)methylideneamino]-1,3-thiazol-2-imine.
What is the SMILES notation for N-benzyl-4-methyl-3-[(4-methylsulfanylphenyl)methylideneamino]-1,3-thiazol-2-imine?
The canonical SMILES for N-benzyl-4-methyl-3-[(4-methylsulfanylphenyl)methylideneamino]-1,3-thiazol-2-imine is CSc1ccc(C=Nn2c(C)cs/c2=N\Cc2ccccc2)cc1.
What is the InChIKey of N-benzyl-4-methyl-3-[(4-methylsulfanylphenyl)methylideneamino]-1,3-thiazol-2-imine?
The InChIKey is FWGXTEAQEATFBN-XLCBZCFXSA-N. The full InChI is InChI=1S/C19H19N3S2/c1-15-14-24-19(20-12-16-6-4-3-5-7-16)22(15)21-13-17-8-10-18(23-2)11-9-17/h3-11,13-14H,12H2,1-2H3/b20-19-,21-13?.
What are the key properties of N-benzyl-4-methyl-3-[(4-methylsulfanylphenyl)methylideneamino]-1,3-thiazol-2-imine?
N-benzyl-4-methyl-3-[(4-methylsulfanylphenyl)methylideneamino]-1,3-thiazol-2-imine has a molecular weight of 353.52 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-methyl-3-[(4-methylsulfanylphenyl)methylideneamino]-1,3-thiazol-2-imine is sourced from PubChem (CID 23736817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).