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

C16H10F2IN3S — CID 168577440

IUPACN-[(2,4-difluoro-5-iodophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
SMILESFc1cc(F)c(C=NNc2nc(-c3ccccc3)cs2)cc1I
InChIInChI=1S/C16H10F2IN3S/c17-12-7-13(18)14(19)6-11(12)8-20-22-16-21-15(9-23-16)10-4-2-1-3-5-10/h1-9H,(H,21,22)
InChIKeyHGPSVNKAVXHNCB-UHFFFAOYSA-N
MW441.24 g/mol
LogP5.14
Rot. Bonds4

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

N-[(2,4-difluoro-5-iodophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine (PubChem CID 168577440) has the molecular formula C16H10F2IN3S and a molecular weight of 441.24 g/mol. Its IUPAC name is N-[(2,4-difluoro-5-iodophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(2,4-difluoro-5-iodophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
PubChem CID168577440
Molecular FormulaC16H10F2IN3S
Molecular Weight441.24 g/mol
Exact Mass440.96
IUPAC NameN-[(2,4-difluoro-5-iodophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
SMILESFc1cc(F)c(C=NNc2nc(-c3ccccc3)cs2)cc1I
InChIInChI=1S/C16H10F2IN3S/c17-12-7-13(18)14(19)6-11(12)8-20-22-16-21-15(9-23-16)10-4-2-1-3-5-10/h1-9H,(H,21,22)
InChIKeyHGPSVNKAVXHNCB-UHFFFAOYSA-N
XLogP5.14
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.24
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(2,4-difluoro-5-iodophenyl)methylideneamino]-4-phenyl-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

Related Compounds

N-[(3-bromo-2,4-difluorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168578789
N-[(3,5-difluoro-2-methylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168578871
4-iodo-3-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 168579252
N-[[2-iodo-5-(trifluoromethyl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577667
N-[(2-fluoro-4-pyrrolidin-1-ylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168576719
N-[[2-(bromomethyl)-3-fluorophenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577611
4-(4-fluorophenyl)-N-[(Z)-(2-fluorophenyl)methylideneamino]-1,3-thiazol-2-amine
CID 6107922
N-[(3-chloro-2-fluorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168576673
N-[(2,4-difluoro-3-methoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577365
2-bromo-3-fluoro-6-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 168577518
N-[(3-chloro-4-fluorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577116
N-[(E)-(4-fluorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine;hydrobromide
CID 44789214

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluoro-5-iodophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-[(2,4-difluoro-5-iodophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine (CID 168577440) is N-[(2,4-difluoro-5-iodophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(2,4-difluoro-5-iodophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(2,4-difluoro-5-iodophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine is Fc1cc(F)c(C=NNc2nc(-c3ccccc3)cs2)cc1I.
What is the InChIKey of N-[(2,4-difluoro-5-iodophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is HGPSVNKAVXHNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F2IN3S/c17-12-7-13(18)14(19)6-11(12)8-20-22-16-21-15(9-23-16)10-4-2-1-3-5-10/h1-9H,(H,21,22).
What are the key properties of N-[(2,4-difluoro-5-iodophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
N-[(2,4-difluoro-5-iodophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 441.24 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluoro-5-iodophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 168577440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).