4-(3,4-difluorophenyl)-N-[(E)-(3,4-difluorophenyl)methylideneamino]-1,3-thiazol-2-amine

C16H9F4N3S — CID 155523728

IUPAC4-(3,4-difluorophenyl)-N-[(E)-(3,4-difluorophenyl)methylideneamino]-1,3-thiazol-2-amine
SMILESFc1ccc(/C=N/Nc2nc(-c3ccc(F)c(F)c3)cs2)cc1F
InChIInChI=1S/C16H9F4N3S/c17-11-3-1-9(5-13(11)19)7-21-23-16-22-15(8-24-16)10-2-4-12(18)14(20)6-10/h1-8H,(H,22,23)/b21-7+
InChIKeyIAURITNYRKQDAX-QPSGOUHRSA-N
MW351.33 g/mol
LogP4.81
Rot. Bonds4

About 4-(3,4-difluorophenyl)-N-[(E)-(3,4-difluorophenyl)methylideneamino]-1,3-thiazol-2-amine

4-(3,4-difluorophenyl)-N-[(E)-(3,4-difluorophenyl)methylideneamino]-1,3-thiazol-2-amine (PubChem CID 155523728) has the molecular formula C16H9F4N3S and a molecular weight of 351.33 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)-N-[(E)-(3,4-difluorophenyl)methylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)-N-[(E)-(3,4-difluorophenyl)methylideneamino]-1,3-thiazol-2-amine
PubChem CID155523728
Molecular FormulaC16H9F4N3S
Molecular Weight351.33 g/mol
Exact Mass351.05
IUPAC Name4-(3,4-difluorophenyl)-N-[(E)-(3,4-difluorophenyl)methylideneamino]-1,3-thiazol-2-amine
SMILESFc1ccc(/C=N/Nc2nc(-c3ccc(F)c(F)c3)cs2)cc1F
InChIInChI=1S/C16H9F4N3S/c17-11-3-1-9(5-13(11)19)7-21-23-16-22-15(8-24-16)10-2-4-12(18)14(20)6-10/h1-8H,(H,22,23)/b21-7+
InChIKeyIAURITNYRKQDAX-QPSGOUHRSA-N
XLogP4.81
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 54.81
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'}

Analyze 4-(3,4-difluorophenyl)-N-[(E)-(3,4-difluorophenyl)methylideneamino]-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)-N-[(E)-(3,4-difluorophenyl)methylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of 4-(3,4-difluorophenyl)-N-[(E)-(3,4-difluorophenyl)methylideneamino]-1,3-thiazol-2-amine (CID 155523728) is 4-(3,4-difluorophenyl)-N-[(E)-(3,4-difluorophenyl)methylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(3,4-difluorophenyl)-N-[(E)-(3,4-difluorophenyl)methylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(3,4-difluorophenyl)-N-[(E)-(3,4-difluorophenyl)methylideneamino]-1,3-thiazol-2-amine is Fc1ccc(/C=N/Nc2nc(-c3ccc(F)c(F)c3)cs2)cc1F.
What is the InChIKey of 4-(3,4-difluorophenyl)-N-[(E)-(3,4-difluorophenyl)methylideneamino]-1,3-thiazol-2-amine?
The InChIKey is IAURITNYRKQDAX-QPSGOUHRSA-N. The full InChI is InChI=1S/C16H9F4N3S/c17-11-3-1-9(5-13(11)19)7-21-23-16-22-15(8-24-16)10-2-4-12(18)14(20)6-10/h1-8H,(H,22,23)/b21-7+.
What are the key properties of 4-(3,4-difluorophenyl)-N-[(E)-(3,4-difluorophenyl)methylideneamino]-1,3-thiazol-2-amine?
4-(3,4-difluorophenyl)-N-[(E)-(3,4-difluorophenyl)methylideneamino]-1,3-thiazol-2-amine has a molecular weight of 351.33 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)-N-[(E)-(3,4-difluorophenyl)methylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 155523728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).