N-(4-fluoro-2-iodophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine

C12H14FIN2S — CID 107858039

IUPACN-(4-fluoro-2-iodophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)C1CSC(Nc2ccc(F)cc2I)=N1
InChIInChI=1S/C12H14FIN2S/c1-7(2)11-6-17-12(16-11)15-10-4-3-8(13)5-9(10)14/h3-5,7,11H,6H2,1-2H3,(H,15,16)
InChIKeyOIZJXEGVNPGXGQ-UHFFFAOYSA-N
MW364.23 g/mol
LogP3.97
Rot. Bonds2

About N-(4-fluoro-2-iodophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine

N-(4-fluoro-2-iodophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 107858039) has the molecular formula C12H14FIN2S and a molecular weight of 364.23 g/mol. Its IUPAC name is N-(4-fluoro-2-iodophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-fluoro-2-iodophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID107858039
Molecular FormulaC12H14FIN2S
Molecular Weight364.23 g/mol
Exact Mass363.99
IUPAC NameN-(4-fluoro-2-iodophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)C1CSC(Nc2ccc(F)cc2I)=N1
InChIInChI=1S/C12H14FIN2S/c1-7(2)11-6-17-12(16-11)15-10-4-3-8(13)5-9(10)14/h3-5,7,11H,6H2,1-2H3,(H,15,16)
InChIKeyOIZJXEGVNPGXGQ-UHFFFAOYSA-N
XLogP3.97
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.23
LogP ≤ 53.97
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

(4S)-N-(4-fluoro-2-methylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 79246372
N-(4-chloro-2-iodophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 107858227
(4S)-N-(2-fluorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 79247207
N-(5-iodo-2-methylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 114257714
3-fluoro-4-[(4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]benzonitrile
CID 107858075
(4S)-N-(2,4-dichlorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 79246788
(4S)-N-(2,5-dimethylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 79246370
N-(5-fluoro-2-methylphenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 114177135
(4S)-4-propan-2-yl-N-(2-propan-2-ylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 79246171
(4S)-N-(2,3,4,5,6-pentafluorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 115564682
N-(5-bromo-2-methylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 114009788
(4S)-N-(2,3-dimethylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 79246681

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-iodophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(4-fluoro-2-iodophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine (CID 107858039) is N-(4-fluoro-2-iodophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-fluoro-2-iodophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-fluoro-2-iodophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine is CC(C)C1CSC(Nc2ccc(F)cc2I)=N1.
What is the InChIKey of N-(4-fluoro-2-iodophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is OIZJXEGVNPGXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FIN2S/c1-7(2)11-6-17-12(16-11)15-10-4-3-8(13)5-9(10)14/h3-5,7,11H,6H2,1-2H3,(H,15,16).
What are the key properties of N-(4-fluoro-2-iodophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
N-(4-fluoro-2-iodophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 364.23 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-iodophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 107858039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).