5-(2-fluoro-3-iodophenyl)-1,3-thiazol-2-amine

C9H6FIN2S — CID 164893855

IUPAC5-(2-fluoro-3-iodophenyl)-1,3-thiazol-2-amine
SMILESNc1ncc(-c2cccc(I)c2F)s1
InChIInChI=1S/C9H6FIN2S/c10-8-5(2-1-3-6(8)11)7-4-13-9(12)14-7/h1-4H,(H2,12,13)
InChIKeyDXUCBEBTKNPKKP-UHFFFAOYSA-N
MW320.13 g/mol
LogP3.14
Rot. Bonds1

About 5-(2-fluoro-3-iodophenyl)-1,3-thiazol-2-amine

5-(2-fluoro-3-iodophenyl)-1,3-thiazol-2-amine (PubChem CID 164893855) has the molecular formula C9H6FIN2S and a molecular weight of 320.13 g/mol. Its IUPAC name is 5-(2-fluoro-3-iodophenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(2-fluoro-3-iodophenyl)-1,3-thiazol-2-amine
PubChem CID164893855
Molecular FormulaC9H6FIN2S
Molecular Weight320.13 g/mol
Exact Mass319.93
IUPAC Name5-(2-fluoro-3-iodophenyl)-1,3-thiazol-2-amine
SMILESNc1ncc(-c2cccc(I)c2F)s1
InChIInChI=1S/C9H6FIN2S/c10-8-5(2-1-3-6(8)11)7-4-13-9(12)14-7/h1-4H,(H2,12,13)
InChIKeyDXUCBEBTKNPKKP-UHFFFAOYSA-N
XLogP3.14
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.13
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-naphthalen-1-yl-1,3-thiazol-2-amine
CID 17015170
ethane;5-phenyl-1,3-thiazol-2-amine
CID 142092018
5-(2,3-dihydro-1-benzofuran-7-yl)-1,3-thiazol-2-amine
CID 114746396
5-(2-fluoro-4,5-dimethylphenyl)-1,3-thiazol-2-amine
CID 164892371
5-(2-chloro-4,5-difluorophenyl)-1,3-thiazol-2-amine
CID 107476819
5-(1H-pyrrol-2-yl)-1,3-thiazol-2-amine
CID 103341544
5-(2,4-dimethylphenyl)-1,3-thiazol-2-amine
CID 61025121
ethene;5-pyridazin-3-yl-1,3-thiazol-2-amine
CID 144794204
5-(4-fluoro-2,6-dimethylphenyl)-1,3-thiazol-2-amine
CID 106878977
5-(6-aminopyrazin-2-yl)-1,3-thiazol-2-amine
CID 119006350
3-(2-amino-1,3-thiazol-5-yl)benzonitrile
CID 61025504
5-(4-cyclopropylphenyl)-1,3-thiazol-2-amine
CID 116811772

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-3-iodophenyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(2-fluoro-3-iodophenyl)-1,3-thiazol-2-amine (CID 164893855) is 5-(2-fluoro-3-iodophenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(2-fluoro-3-iodophenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(2-fluoro-3-iodophenyl)-1,3-thiazol-2-amine is Nc1ncc(-c2cccc(I)c2F)s1.
What is the InChIKey of 5-(2-fluoro-3-iodophenyl)-1,3-thiazol-2-amine?
The InChIKey is DXUCBEBTKNPKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FIN2S/c10-8-5(2-1-3-6(8)11)7-4-13-9(12)14-7/h1-4H,(H2,12,13).
What are the key properties of 5-(2-fluoro-3-iodophenyl)-1,3-thiazol-2-amine?
5-(2-fluoro-3-iodophenyl)-1,3-thiazol-2-amine has a molecular weight of 320.13 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-3-iodophenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 164893855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).