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

C12H11F2N3OS — CID 168617900

IUPACN-[(3,5-difluoro-2-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
SMILESCOc1c(F)cc(F)cc1C=NNc1nc(C)cs1
InChIInChI=1S/C12H11F2N3OS/c1-7-6-19-12(16-7)17-15-5-8-3-9(13)4-10(14)11(8)18-2/h3-6H,1-2H3,(H,16,17)
InChIKeyWJYXYSXXCSBEKY-UHFFFAOYSA-N
MW283.30 g/mol
LogP3.18
Rot. Bonds4

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

N-[(3,5-difluoro-2-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine (PubChem CID 168617900) has the molecular formula C12H11F2N3OS and a molecular weight of 283.30 g/mol. Its IUPAC name is N-[(3,5-difluoro-2-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(3,5-difluoro-2-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
PubChem CID168617900
Molecular FormulaC12H11F2N3OS
Molecular Weight283.30 g/mol
Exact Mass283.06
IUPAC NameN-[(3,5-difluoro-2-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
SMILESCOc1c(F)cc(F)cc1C=NNc1nc(C)cs1
InChIInChI=1S/C12H11F2N3OS/c1-7-6-19-12(16-7)17-15-5-8-3-9(13)4-10(14)11(8)18-2/h3-6H,1-2H3,(H,16,17)
InChIKeyWJYXYSXXCSBEKY-UHFFFAOYSA-N
XLogP3.18
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-fluoro-4,5-dimethoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168618979
4-methyl-N-[(2,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 74170458
N-[(3-ethynyl-5-fluoro-4-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168619192
4-methyl-N-[(2,3,4-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 168616831
N-[[4-(difluoromethyl)-2,5-difluorophenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168619252
N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168616851
N-[(2-bromo-4-fluoro-5-methylphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168618021
N-[(6-fluoro-3,4-dihydro-2H-chromen-8-yl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617561
N-[(4-ethyl-2-fluorophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617225
N-[[2-(difluoromethoxy)-4-fluorophenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168619693
2-N-[(3,5-difluoro-2-hexoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626009
N-[(2-bromo-3-fluorophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168616988

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluoro-2-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[(3,5-difluoro-2-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine (CID 168617900) is N-[(3,5-difluoro-2-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(3,5-difluoro-2-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(3,5-difluoro-2-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine is COc1c(F)cc(F)cc1C=NNc1nc(C)cs1.
What is the InChIKey of N-[(3,5-difluoro-2-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is WJYXYSXXCSBEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3OS/c1-7-6-19-12(16-7)17-15-5-8-3-9(13)4-10(14)11(8)18-2/h3-6H,1-2H3,(H,16,17).
What are the key properties of N-[(3,5-difluoro-2-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine?
N-[(3,5-difluoro-2-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 283.30 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluoro-2-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 168617900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).