5-(2-chloroethyl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole

C12H11ClFNS — CID 82088854

IUPAC5-(2-chloroethyl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole
SMILESCc1nc(-c2ccc(F)cc2)sc1CCCl
InChIInChI=1S/C12H11ClFNS/c1-8-11(6-7-13)16-12(15-8)9-2-4-10(14)5-3-9/h2-5H,6-7H2,1H3
InChIKeySUYIYKYPKRNIHO-UHFFFAOYSA-N
MW255.75 g/mol
LogP4.04
Rot. Bonds3

About 5-(2-chloroethyl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole

5-(2-chloroethyl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole (PubChem CID 82088854) has the molecular formula C12H11ClFNS and a molecular weight of 255.75 g/mol. Its IUPAC name is 5-(2-chloroethyl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-(2-chloroethyl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole
PubChem CID82088854
Molecular FormulaC12H11ClFNS
Molecular Weight255.75 g/mol
Exact Mass255.03
IUPAC Name5-(2-chloroethyl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole
SMILESCc1nc(-c2ccc(F)cc2)sc1CCCl
InChIInChI=1S/C12H11ClFNS/c1-8-11(6-7-13)16-12(15-8)9-2-4-10(14)5-3-9/h2-5H,6-7H2,1H3
InChIKeySUYIYKYPKRNIHO-UHFFFAOYSA-N
XLogP4.04
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 54.04
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

3-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylpropan-1-amine
CID 116884759
N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propane-1-sulfonamide
CID 7503071
2,5-bis(4-fluorophenyl)-4-methyl-1,3-thiazole
CID 118149754
N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]prop-2-ene-1-sulfonamide
CID 7518265
N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]cyclopropanecarboxamide
CID 7518071
N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzenesulfonamide
CID 7503062
2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-ol
CID 116886009
2-fluoro-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide
CID 7503026
5-(chloromethyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 2783006
N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylbenzamide
CID 7503031
2-fluoro-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzenesulfonamide
CID 7503085
2-(4-chlorophenyl)-5-ethyl-4-methyl-1,3-thiazole
CID 58936530

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloroethyl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole?
The IUPAC name of 5-(2-chloroethyl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole (CID 82088854) is 5-(2-chloroethyl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole.
What is the SMILES notation for 5-(2-chloroethyl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole?
The canonical SMILES for 5-(2-chloroethyl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole is Cc1nc(-c2ccc(F)cc2)sc1CCCl.
What is the InChIKey of 5-(2-chloroethyl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole?
The InChIKey is SUYIYKYPKRNIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFNS/c1-8-11(6-7-13)16-12(15-8)9-2-4-10(14)5-3-9/h2-5H,6-7H2,1H3.
What are the key properties of 5-(2-chloroethyl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole?
5-(2-chloroethyl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole has a molecular weight of 255.75 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloroethyl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole is sourced from PubChem (CID 82088854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).