[2-amino-5-(4-fluorophenyl)-1,3-thiazol-4-yl]-(4-chlorophenyl)methanone

C16H10ClFN2OS — CID 90468022

IUPAC[2-amino-5-(4-fluorophenyl)-1,3-thiazol-4-yl]-(4-chlorophenyl)methanone
SMILESNc1nc(C(=O)c2ccc(Cl)cc2)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C16H10ClFN2OS/c17-11-5-1-9(2-6-11)14(21)13-15(22-16(19)20-13)10-3-7-12(18)8-4-10/h1-8H,(H2,19,20)
InChIKeyYLSNZFYPVZLIRK-UHFFFAOYSA-N
MW332.79 g/mol
LogP4.42
Rot. Bonds3

About [2-amino-5-(4-fluorophenyl)-1,3-thiazol-4-yl]-(4-chlorophenyl)methanone

[2-amino-5-(4-fluorophenyl)-1,3-thiazol-4-yl]-(4-chlorophenyl)methanone (PubChem CID 90468022) has the molecular formula C16H10ClFN2OS and a molecular weight of 332.79 g/mol. Its IUPAC name is [2-amino-5-(4-fluorophenyl)-1,3-thiazol-4-yl]-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name[2-amino-5-(4-fluorophenyl)-1,3-thiazol-4-yl]-(4-chlorophenyl)methanone
PubChem CID90468022
Molecular FormulaC16H10ClFN2OS
Molecular Weight332.79 g/mol
Exact Mass332.02
IUPAC Name[2-amino-5-(4-fluorophenyl)-1,3-thiazol-4-yl]-(4-chlorophenyl)methanone
SMILESNc1nc(C(=O)c2ccc(Cl)cc2)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C16H10ClFN2OS/c17-11-5-1-9(2-6-11)14(21)13-15(22-16(19)20-13)10-3-7-12(18)8-4-10/h1-8H,(H2,19,20)
InChIKeyYLSNZFYPVZLIRK-UHFFFAOYSA-N
XLogP4.42
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-amino-5-(4-fluorophenyl)-1,3-thiazol-4-yl]-(4-chlorophenyl)methanone?
The IUPAC name of [2-amino-5-(4-fluorophenyl)-1,3-thiazol-4-yl]-(4-chlorophenyl)methanone (CID 90468022) is [2-amino-5-(4-fluorophenyl)-1,3-thiazol-4-yl]-(4-chlorophenyl)methanone.
What is the SMILES notation for [2-amino-5-(4-fluorophenyl)-1,3-thiazol-4-yl]-(4-chlorophenyl)methanone?
The canonical SMILES for [2-amino-5-(4-fluorophenyl)-1,3-thiazol-4-yl]-(4-chlorophenyl)methanone is Nc1nc(C(=O)c2ccc(Cl)cc2)c(-c2ccc(F)cc2)s1.
What is the InChIKey of [2-amino-5-(4-fluorophenyl)-1,3-thiazol-4-yl]-(4-chlorophenyl)methanone?
The InChIKey is YLSNZFYPVZLIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClFN2OS/c17-11-5-1-9(2-6-11)14(21)13-15(22-16(19)20-13)10-3-7-12(18)8-4-10/h1-8H,(H2,19,20).
What are the key properties of [2-amino-5-(4-fluorophenyl)-1,3-thiazol-4-yl]-(4-chlorophenyl)methanone?
[2-amino-5-(4-fluorophenyl)-1,3-thiazol-4-yl]-(4-chlorophenyl)methanone has a molecular weight of 332.79 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-5-(4-fluorophenyl)-1,3-thiazol-4-yl]-(4-chlorophenyl)methanone is sourced from PubChem (CID 90468022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).