N-[(4-ethyl-2-fluorophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine

C13H14FN3S — CID 168617225

IUPACN-[(4-ethyl-2-fluorophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
SMILESCCc1ccc(C=NNc2nc(C)cs2)c(F)c1
InChIInChI=1S/C13H14FN3S/c1-3-10-4-5-11(12(14)6-10)7-15-17-13-16-9(2)8-18-13/h4-8H,3H2,1-2H3,(H,16,17)
InChIKeyQUFMXMULSPPYDK-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.60
Rot. Bonds4

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

N-[(4-ethyl-2-fluorophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine (PubChem CID 168617225) has the molecular formula C13H14FN3S and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[(4-ethyl-2-fluorophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(4-ethyl-2-fluorophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
PubChem CID168617225
Molecular FormulaC13H14FN3S
Molecular Weight263.34 g/mol
Exact Mass263.09
IUPAC NameN-[(4-ethyl-2-fluorophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
SMILESCCc1ccc(C=NNc2nc(C)cs2)c(F)c1
InChIInChI=1S/C13H14FN3S/c1-3-10-4-5-11(12(14)6-10)7-15-17-13-16-9(2)8-18-13/h4-8H,3H2,1-2H3,(H,16,17)
InChIKeyQUFMXMULSPPYDK-UHFFFAOYSA-N
XLogP3.60
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.60
H-Bond Donors ≤ 51
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

N-[[4-(difluoromethyl)-2,5-difluorophenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168619252
N-[[5-chloro-2-[(3,4-difluorophenyl)methoxy]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617482
N-[(2-bromo-3-fluorophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168616988
N-[(2-bromo-4-fluoro-5-methylphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168618021
N-[(4-ethyl-2-fluorophenyl)methylideneamino]aniline
CID 169381828
N-[(5-ethynyl-2-fluorophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168619478
N-[(4-bromo-3-chloro-2-fluorophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168619608
N-[(Z)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 7231876
N-[(3,5-difluoro-2-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617900
N-[[2-(difluoromethoxy)-4-fluorophenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168619693
N-[[3-[(3,4-difluorophenyl)methoxy]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617397
N-[(4-fluoro-3,5-dimethylphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168618351

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-2-fluorophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[(4-ethyl-2-fluorophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine (CID 168617225) is N-[(4-ethyl-2-fluorophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(4-ethyl-2-fluorophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(4-ethyl-2-fluorophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine is CCc1ccc(C=NNc2nc(C)cs2)c(F)c1.
What is the InChIKey of N-[(4-ethyl-2-fluorophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is QUFMXMULSPPYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3S/c1-3-10-4-5-11(12(14)6-10)7-15-17-13-16-9(2)8-18-13/h4-8H,3H2,1-2H3,(H,16,17).
What are the key properties of N-[(4-ethyl-2-fluorophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine?
N-[(4-ethyl-2-fluorophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 263.34 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-2-fluorophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 168617225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).