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

C10H6Cl2FNS — CID 114453845

IUPAC2-(3-chloro-5-fluorophenyl)-4-(chloromethyl)-1,3-thiazole
SMILESFc1cc(Cl)cc(-c2nc(CCl)cs2)c1
InChIInChI=1S/C10H6Cl2FNS/c11-4-9-5-15-10(14-9)6-1-7(12)3-8(13)2-6/h1-3,5H,4H2
InChIKeyRBXQPPQLUHLEFC-UHFFFAOYSA-N
MW262.14 g/mol
LogP4.34
Rot. Bonds2

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

2-(3-chloro-5-fluorophenyl)-4-(chloromethyl)-1,3-thiazole (PubChem CID 114453845) has the molecular formula C10H6Cl2FNS and a molecular weight of 262.14 g/mol. Its IUPAC name is 2-(3-chloro-5-fluorophenyl)-4-(chloromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(3-chloro-5-fluorophenyl)-4-(chloromethyl)-1,3-thiazole
PubChem CID114453845
Molecular FormulaC10H6Cl2FNS
Molecular Weight262.14 g/mol
Exact Mass260.96
IUPAC Name2-(3-chloro-5-fluorophenyl)-4-(chloromethyl)-1,3-thiazole
SMILESFc1cc(Cl)cc(-c2nc(CCl)cs2)c1
InChIInChI=1S/C10H6Cl2FNS/c11-4-9-5-15-10(14-9)6-1-7(12)3-8(13)2-6/h1-3,5H,4H2
InChIKeyRBXQPPQLUHLEFC-UHFFFAOYSA-N
XLogP4.34
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.14
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-[2-(3-chloro-5-fluorophenyl)-1,3-thiazol-4-yl]propanoate
CID 103485093
4-(chloromethyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole
CID 2095697
2-(7-chloro-1,3-benzodioxol-5-yl)-4-(chloromethyl)-1,3-thiazole
CID 43143705
4-(chloromethyl)-2-(5-fluoro-2-pyridinyl)-1,3-thiazole
CID 79719140
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 4-chloro-2-fluorobenzoate
CID 8664153
N-[[2-(3,5-dichlorophenyl)-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 61280310
4-chloro-2-(3-fluoro-5-methylphenyl)-1,3-thiazole
CID 83157998
4-(chloromethyl)-2-(2,3,5,6-tetramethylphenyl)-1,3-thiazole
CID 82091892
4-(bromomethyl)-2-(3-chlorophenyl)-1,3-thiazole
CID 119093841
4-(chloromethyl)-2-[4-(2,2,2-trifluoroethoxymethyl)phenyl]-1,3-thiazole
CID 43320206
[2-(3-chloro-5-methoxyphenyl)-1,3-thiazol-4-yl]methanol
CID 90982425
2-(4-fluorophenyl)-4-propyl-1,3-thiazole
CID 115641443

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-5-fluorophenyl)-4-(chloromethyl)-1,3-thiazole?
The IUPAC name of 2-(3-chloro-5-fluorophenyl)-4-(chloromethyl)-1,3-thiazole (CID 114453845) is 2-(3-chloro-5-fluorophenyl)-4-(chloromethyl)-1,3-thiazole.
What is the SMILES notation for 2-(3-chloro-5-fluorophenyl)-4-(chloromethyl)-1,3-thiazole?
The canonical SMILES for 2-(3-chloro-5-fluorophenyl)-4-(chloromethyl)-1,3-thiazole is Fc1cc(Cl)cc(-c2nc(CCl)cs2)c1.
What is the InChIKey of 2-(3-chloro-5-fluorophenyl)-4-(chloromethyl)-1,3-thiazole?
The InChIKey is RBXQPPQLUHLEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2FNS/c11-4-9-5-15-10(14-9)6-1-7(12)3-8(13)2-6/h1-3,5H,4H2.
What are the key properties of 2-(3-chloro-5-fluorophenyl)-4-(chloromethyl)-1,3-thiazole?
2-(3-chloro-5-fluorophenyl)-4-(chloromethyl)-1,3-thiazole has a molecular weight of 262.14 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-5-fluorophenyl)-4-(chloromethyl)-1,3-thiazole is sourced from PubChem (CID 114453845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).