N-[[2-(3,4-dimethoxyphenyl)sulfanylphenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine

C19H19N3O2S2 — CID 168619655

IUPACN-[[2-(3,4-dimethoxyphenyl)sulfanylphenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
SMILESCOc1ccc(Sc2ccccc2C=NNc2nc(C)cs2)cc1OC
InChIInChI=1S/C19H19N3O2S2/c1-13-12-25-19(21-13)22-20-11-14-6-4-5-7-18(14)26-15-8-9-16(23-2)17(10-15)24-3/h4-12H,1-3H3,(H,21,22)
InChIKeyGWJGPEUJYAKQOE-UHFFFAOYSA-N
MW385.51 g/mol
LogP5.07
Rot. Bonds7

About N-[[2-(3,4-dimethoxyphenyl)sulfanylphenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine

N-[[2-(3,4-dimethoxyphenyl)sulfanylphenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine (PubChem CID 168619655) has the molecular formula C19H19N3O2S2 and a molecular weight of 385.51 g/mol. Its IUPAC name is N-[[2-(3,4-dimethoxyphenyl)sulfanylphenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[[2-(3,4-dimethoxyphenyl)sulfanylphenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
PubChem CID168619655
Molecular FormulaC19H19N3O2S2
Molecular Weight385.51 g/mol
Exact Mass385.09
IUPAC NameN-[[2-(3,4-dimethoxyphenyl)sulfanylphenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
SMILESCOc1ccc(Sc2ccccc2C=NNc2nc(C)cs2)cc1OC
InChIInChI=1S/C19H19N3O2S2/c1-13-12-25-19(21-13)22-20-11-14-6-4-5-7-18(14)26-15-8-9-16(23-2)17(10-15)24-3/h4-12H,1-3H3,(H,21,22)
InChIKeyGWJGPEUJYAKQOE-UHFFFAOYSA-N
XLogP5.07
TPSA55.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.51
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

4-methyl-N-[(2,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 74170458
N-[[2-(2-chlorophenyl)sulfanylphenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168618080
N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168616851
4-methyl-N-[(2,3,4-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 168616831
N-[(2,6-dimethoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168616905
N-[[2-(3,4-dimethylphenoxy)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168619104
N-[(2-ethoxy-3-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 74170624
N-[(4-methoxy-3-phenylphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168619151
N-[[4-(2-chlorophenyl)sulfanylphenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168618079
N-[(Z)-(2-bromophenyl)methylideneamino]-4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 110531376
2-[(E)-[2-(3,4-dimethoxyphenyl)sulfanylphenyl]methylideneamino]guanidine
CID 44572744
N-[(Z)-(2-butoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 42459776

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,4-dimethoxyphenyl)sulfanylphenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[[2-(3,4-dimethoxyphenyl)sulfanylphenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine (CID 168619655) is N-[[2-(3,4-dimethoxyphenyl)sulfanylphenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[[2-(3,4-dimethoxyphenyl)sulfanylphenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[[2-(3,4-dimethoxyphenyl)sulfanylphenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine is COc1ccc(Sc2ccccc2C=NNc2nc(C)cs2)cc1OC.
What is the InChIKey of N-[[2-(3,4-dimethoxyphenyl)sulfanylphenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is GWJGPEUJYAKQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S2/c1-13-12-25-19(21-13)22-20-11-14-6-4-5-7-18(14)26-15-8-9-16(23-2)17(10-15)24-3/h4-12H,1-3H3,(H,21,22).
What are the key properties of N-[[2-(3,4-dimethoxyphenyl)sulfanylphenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine?
N-[[2-(3,4-dimethoxyphenyl)sulfanylphenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 385.51 g/mol, XLogP of 5.07, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,4-dimethoxyphenyl)sulfanylphenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 168619655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).