N-[(3-fluoro-4,5-dimethoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine

C13H14FN3O2S — CID 168618979

IUPACN-[(3-fluoro-4,5-dimethoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
SMILESCOc1cc(C=NNc2nc(C)cs2)cc(F)c1OC
InChIInChI=1S/C13H14FN3O2S/c1-8-7-20-13(16-8)17-15-6-9-4-10(14)12(19-3)11(5-9)18-2/h4-7H,1-3H3,(H,16,17)
InChIKeyNTRDXEZKNQDSOE-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.05
Rot. Bonds5

About N-[(3-fluoro-4,5-dimethoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine

N-[(3-fluoro-4,5-dimethoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine (PubChem CID 168618979) has the molecular formula C13H14FN3O2S and a molecular weight of 295.34 g/mol. Its IUPAC name is N-[(3-fluoro-4,5-dimethoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(3-fluoro-4,5-dimethoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
PubChem CID168618979
Molecular FormulaC13H14FN3O2S
Molecular Weight295.34 g/mol
Exact Mass295.08
IUPAC NameN-[(3-fluoro-4,5-dimethoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
SMILESCOc1cc(C=NNc2nc(C)cs2)cc(F)c1OC
InChIInChI=1S/C13H14FN3O2S/c1-8-7-20-13(16-8)17-15-6-9-4-10(14)12(19-3)11(5-9)18-2/h4-7H,1-3H3,(H,16,17)
InChIKeyNTRDXEZKNQDSOE-UHFFFAOYSA-N
XLogP3.05
TPSA55.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

N-[(3-ethynyl-5-fluoro-4-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168619192
N-[(Z)-(3,5-dimethoxy-4-propoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 110536776
[2,6-dimethoxy-4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]boronic acid
CID 168619326
N-[(3,5-difluoro-2-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617900
N-[(4-fluoro-3,5-dimethylphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168618351
N-[(3-methoxy-4-prop-2-enoxy-5-prop-2-enylphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168618221
N-[(3-bromo-5-methoxy-4-propoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168618406
4-methyl-N-[(2,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 74170458
4-methyl-N-[(2,3,4-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 168616831
2-N-[(3-iodo-4,5-dimethoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168625814
[2-methoxy-4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl] acetate
CID 168616854
N-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 40548174

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4,5-dimethoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[(3-fluoro-4,5-dimethoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine (CID 168618979) is N-[(3-fluoro-4,5-dimethoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(3-fluoro-4,5-dimethoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(3-fluoro-4,5-dimethoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine is COc1cc(C=NNc2nc(C)cs2)cc(F)c1OC.
What is the InChIKey of N-[(3-fluoro-4,5-dimethoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is NTRDXEZKNQDSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2S/c1-8-7-20-13(16-8)17-15-6-9-4-10(14)12(19-3)11(5-9)18-2/h4-7H,1-3H3,(H,16,17).
What are the key properties of N-[(3-fluoro-4,5-dimethoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine?
N-[(3-fluoro-4,5-dimethoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 295.34 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4,5-dimethoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 168618979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).