4-chloro-N-(4-fluoro-2-iodophenyl)-1,3-thiazol-2-amine

C9H5ClFIN2S — CID 83155997

IUPAC4-chloro-N-(4-fluoro-2-iodophenyl)-1,3-thiazol-2-amine
SMILESFc1ccc(Nc2nc(Cl)cs2)c(I)c1
InChIInChI=1S/C9H5ClFIN2S/c10-8-4-15-9(14-8)13-7-2-1-5(11)3-6(7)12/h1-4H,(H,13,14)
InChIKeyUNGFXGZQQIJDAP-UHFFFAOYSA-N
MW354.58 g/mol
LogP4.28
Rot. Bonds2

About 4-chloro-N-(4-fluoro-2-iodophenyl)-1,3-thiazol-2-amine

4-chloro-N-(4-fluoro-2-iodophenyl)-1,3-thiazol-2-amine (PubChem CID 83155997) has the molecular formula C9H5ClFIN2S and a molecular weight of 354.58 g/mol. Its IUPAC name is 4-chloro-N-(4-fluoro-2-iodophenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-chloro-N-(4-fluoro-2-iodophenyl)-1,3-thiazol-2-amine
PubChem CID83155997
Molecular FormulaC9H5ClFIN2S
Molecular Weight354.58 g/mol
Exact Mass353.89
IUPAC Name4-chloro-N-(4-fluoro-2-iodophenyl)-1,3-thiazol-2-amine
SMILESFc1ccc(Nc2nc(Cl)cs2)c(I)c1
InChIInChI=1S/C9H5ClFIN2S/c10-8-4-15-9(14-8)13-7-2-1-5(11)3-6(7)12/h1-4H,(H,13,14)
InChIKeyUNGFXGZQQIJDAP-UHFFFAOYSA-N
XLogP4.28
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.58
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-chloro-N-(4-fluoro-2-iodophenyl)-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

4-chloro-N-(2,5-difluorophenyl)-1,3-thiazol-2-amine
CID 83152683
2-[2-(4-fluoro-2-iodoanilino)-1,3-thiazol-4-yl]acetic acid
CID 80576564
4-chloro-N-(2,4-dimethylphenyl)-1,3-thiazol-2-amine
CID 83153410
4-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 83153285
N-(5-bromo-4-fluoro-2-methylphenyl)-4-chloro-1,3-thiazol-2-amine
CID 107593321
4-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 83152925
N-(4-fluoro-2-iodophenyl)-6-methyl-1,3-benzothiazol-2-amine
CID 79766011
4-chloro-N-(3-fluoro-4-methylphenyl)-1,3-thiazol-2-amine
CID 83152809
N-(2-bromo-5-methylphenyl)-4-chloro-1,3-thiazol-2-amine
CID 83155520
N-(4-fluoro-2-iodophenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 79765855
3,5-dichloro-6-N-(4-fluoro-2-iodophenyl)-2-N-propylpyridine-2,6-diamine
CID 102758994
2-N-ethyl-6-N-(4-fluoro-2-iodophenyl)pyridine-2,6-diamine
CID 80849440

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-fluoro-2-iodophenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-chloro-N-(4-fluoro-2-iodophenyl)-1,3-thiazol-2-amine (CID 83155997) is 4-chloro-N-(4-fluoro-2-iodophenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-chloro-N-(4-fluoro-2-iodophenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-chloro-N-(4-fluoro-2-iodophenyl)-1,3-thiazol-2-amine is Fc1ccc(Nc2nc(Cl)cs2)c(I)c1.
What is the InChIKey of 4-chloro-N-(4-fluoro-2-iodophenyl)-1,3-thiazol-2-amine?
The InChIKey is UNGFXGZQQIJDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClFIN2S/c10-8-4-15-9(14-8)13-7-2-1-5(11)3-6(7)12/h1-4H,(H,13,14).
What are the key properties of 4-chloro-N-(4-fluoro-2-iodophenyl)-1,3-thiazol-2-amine?
4-chloro-N-(4-fluoro-2-iodophenyl)-1,3-thiazol-2-amine has a molecular weight of 354.58 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-fluoro-2-iodophenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 83155997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).