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

C16H10ClFN2OS — CID 88566066

IUPAC[2-amino-4-(3-chlorophenyl)-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone
SMILESNc1nc(-c2cccc(Cl)c2)c(C(=O)c2cccc(F)c2)s1
InChIInChI=1S/C16H10ClFN2OS/c17-11-5-1-3-9(7-11)13-15(22-16(19)20-13)14(21)10-4-2-6-12(18)8-10/h1-8H,(H2,19,20)
InChIKeyRXCSJBCTZGVKGG-UHFFFAOYSA-N
MW332.79 g/mol
LogP4.42
Rot. Bonds3

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

[2-amino-4-(3-chlorophenyl)-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone (PubChem CID 88566066) has the molecular formula C16H10ClFN2OS and a molecular weight of 332.79 g/mol. Its IUPAC name is [2-amino-4-(3-chlorophenyl)-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone.

Molecular Properties

Compound Name[2-amino-4-(3-chlorophenyl)-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone
PubChem CID88566066
Molecular FormulaC16H10ClFN2OS
Molecular Weight332.79 g/mol
Exact Mass332.02
IUPAC Name[2-amino-4-(3-chlorophenyl)-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone
SMILESNc1nc(-c2cccc(Cl)c2)c(C(=O)c2cccc(F)c2)s1
InChIInChI=1S/C16H10ClFN2OS/c17-11-5-1-3-9(7-11)13-15(22-16(19)20-13)14(21)10-4-2-6-12(18)8-10/h1-8H,(H2,19,20)
InChIKeyRXCSJBCTZGVKGG-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-4-(3-chlorophenyl)-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone?
The IUPAC name of [2-amino-4-(3-chlorophenyl)-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone (CID 88566066) is [2-amino-4-(3-chlorophenyl)-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone.
What is the SMILES notation for [2-amino-4-(3-chlorophenyl)-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone?
The canonical SMILES for [2-amino-4-(3-chlorophenyl)-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone is Nc1nc(-c2cccc(Cl)c2)c(C(=O)c2cccc(F)c2)s1.
What is the InChIKey of [2-amino-4-(3-chlorophenyl)-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone?
The InChIKey is RXCSJBCTZGVKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClFN2OS/c17-11-5-1-3-9(7-11)13-15(22-16(19)20-13)14(21)10-4-2-6-12(18)8-10/h1-8H,(H2,19,20).
What are the key properties of [2-amino-4-(3-chlorophenyl)-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone?
[2-amino-4-(3-chlorophenyl)-1,3-thiazol-5-yl]-(3-fluorophenyl)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-4-(3-chlorophenyl)-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone is sourced from PubChem (CID 88566066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).