2-(2-chlorophenyl)-4-(2-fluorophenyl)-4,5-dihydro-1,3-thiazole

C15H11ClFNS — CID 22716548

IUPAC2-(2-chlorophenyl)-4-(2-fluorophenyl)-4,5-dihydro-1,3-thiazole
SMILESFc1ccccc1C1CSC(c2ccccc2Cl)=N1
InChIInChI=1S/C15H11ClFNS/c16-12-7-3-1-5-10(12)15-18-14(9-19-15)11-6-2-4-8-13(11)17/h1-8,14H,9H2
InChIKeyCOANLQAPIGPXAB-UHFFFAOYSA-N
MW291.78 g/mol
LogP4.71
Rot. Bonds2

About 2-(2-chlorophenyl)-4-(2-fluorophenyl)-4,5-dihydro-1,3-thiazole

2-(2-chlorophenyl)-4-(2-fluorophenyl)-4,5-dihydro-1,3-thiazole (PubChem CID 22716548) has the molecular formula C15H11ClFNS and a molecular weight of 291.78 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4-(2-fluorophenyl)-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4-(2-fluorophenyl)-4,5-dihydro-1,3-thiazole
PubChem CID22716548
Molecular FormulaC15H11ClFNS
Molecular Weight291.78 g/mol
Exact Mass291.03
IUPAC Name2-(2-chlorophenyl)-4-(2-fluorophenyl)-4,5-dihydro-1,3-thiazole
SMILESFc1ccccc1C1CSC(c2ccccc2Cl)=N1
InChIInChI=1S/C15H11ClFNS/c16-12-7-3-1-5-10(12)15-18-14(9-19-15)11-6-2-4-8-13(11)17/h1-8,14H,9H2
InChIKeyCOANLQAPIGPXAB-UHFFFAOYSA-N
XLogP4.71
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-4-(2-fluorophenyl)-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-(2-chlorophenyl)-4-(2-fluorophenyl)-4,5-dihydro-1,3-thiazole (CID 22716548) is 2-(2-chlorophenyl)-4-(2-fluorophenyl)-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-(2-chlorophenyl)-4-(2-fluorophenyl)-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-(2-chlorophenyl)-4-(2-fluorophenyl)-4,5-dihydro-1,3-thiazole is Fc1ccccc1C1CSC(c2ccccc2Cl)=N1.
What is the InChIKey of 2-(2-chlorophenyl)-4-(2-fluorophenyl)-4,5-dihydro-1,3-thiazole?
The InChIKey is COANLQAPIGPXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFNS/c16-12-7-3-1-5-10(12)15-18-14(9-19-15)11-6-2-4-8-13(11)17/h1-8,14H,9H2.
What are the key properties of 2-(2-chlorophenyl)-4-(2-fluorophenyl)-4,5-dihydro-1,3-thiazole?
2-(2-chlorophenyl)-4-(2-fluorophenyl)-4,5-dihydro-1,3-thiazole has a molecular weight of 291.78 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-4-(2-fluorophenyl)-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 22716548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).