4-(chloromethyl)-5-(2-fluorophenyl)-2-iodo-1,3-thiazole

C10H6ClFINS — CID 133055279

IUPAC4-(chloromethyl)-5-(2-fluorophenyl)-2-iodo-1,3-thiazole
SMILESFc1ccccc1-c1sc(I)nc1CCl
InChIInChI=1S/C10H6ClFINS/c11-5-8-9(15-10(13)14-8)6-3-1-2-4-7(6)12/h1-4H,5H2
InChIKeyKILYEPGFBOUAFI-UHFFFAOYSA-N
MW353.59 g/mol
LogP4.29
Rot. Bonds2

About 4-(chloromethyl)-5-(2-fluorophenyl)-2-iodo-1,3-thiazole

4-(chloromethyl)-5-(2-fluorophenyl)-2-iodo-1,3-thiazole (PubChem CID 133055279) has the molecular formula C10H6ClFINS and a molecular weight of 353.59 g/mol. Its IUPAC name is 4-(chloromethyl)-5-(2-fluorophenyl)-2-iodo-1,3-thiazole.

Molecular Properties

Compound Name4-(chloromethyl)-5-(2-fluorophenyl)-2-iodo-1,3-thiazole
PubChem CID133055279
Molecular FormulaC10H6ClFINS
Molecular Weight353.59 g/mol
Exact Mass352.89
IUPAC Name4-(chloromethyl)-5-(2-fluorophenyl)-2-iodo-1,3-thiazole
SMILESFc1ccccc1-c1sc(I)nc1CCl
InChIInChI=1S/C10H6ClFINS/c11-5-8-9(15-10(13)14-8)6-3-1-2-4-7(6)12/h1-4H,5H2
InChIKeyKILYEPGFBOUAFI-UHFFFAOYSA-N
XLogP4.29
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.59
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(aminomethyl)-5-(2-fluorophenyl)-1,3-thiazol-2-amine
CID 133054887
2-[2-bromo-5-(2-fluorophenyl)-1,3-thiazol-4-yl]acetic acid
CID 174610551
5-(chloromethyl)-2-(2-fluorophenyl)-4-methyl-1,3-thiazole
CID 82084790
3-(chloromethyl)-2,6-bis(2-fluorophenyl)pyridine
CID 131869939
dichloromethane;1-fluoro-2-phenylbenzene
CID 174471910
2,6-bis(2-fluorophenyl)-3-iodopyridine
CID 46313592
5-(2-chloroethyl)-4-(2-fluorophenyl)-1,3-thiazol-2-amine
CID 142647622
5-(2-fluorophenyl)-2-methyl-4-propan-2-yl-1,3-thiazole
CID 142184130
2,5-bis(2-fluorophenyl)-1,3-thiazole-4-carboxylic acid
CID 46313729
2-[5-(2-fluorophenyl)-4-phenyl-1,3-thiazol-2-yl]ethanamine
CID 82106517
2,3-dichloro-5-(2-fluorophenyl)thiophene
CID 175608804
6-(chloromethyl)-3-(2-fluorophenyl)-2-methoxypyridine
CID 131870572

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-5-(2-fluorophenyl)-2-iodo-1,3-thiazole?
The IUPAC name of 4-(chloromethyl)-5-(2-fluorophenyl)-2-iodo-1,3-thiazole (CID 133055279) is 4-(chloromethyl)-5-(2-fluorophenyl)-2-iodo-1,3-thiazole.
What is the SMILES notation for 4-(chloromethyl)-5-(2-fluorophenyl)-2-iodo-1,3-thiazole?
The canonical SMILES for 4-(chloromethyl)-5-(2-fluorophenyl)-2-iodo-1,3-thiazole is Fc1ccccc1-c1sc(I)nc1CCl.
What is the InChIKey of 4-(chloromethyl)-5-(2-fluorophenyl)-2-iodo-1,3-thiazole?
The InChIKey is KILYEPGFBOUAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClFINS/c11-5-8-9(15-10(13)14-8)6-3-1-2-4-7(6)12/h1-4H,5H2.
What are the key properties of 4-(chloromethyl)-5-(2-fluorophenyl)-2-iodo-1,3-thiazole?
4-(chloromethyl)-5-(2-fluorophenyl)-2-iodo-1,3-thiazole has a molecular weight of 353.59 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-5-(2-fluorophenyl)-2-iodo-1,3-thiazole is sourced from PubChem (CID 133055279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).