(5-amino-2-fluorophenyl)-(1,3-thiazol-2-yl)methanone

C10H7FN2OS — CID 143451810

IUPAC(5-amino-2-fluorophenyl)-(1,3-thiazol-2-yl)methanone
SMILESNc1ccc(F)c(C(=O)c2nccs2)c1
InChIInChI=1S/C10H7FN2OS/c11-8-2-1-6(12)5-7(8)9(14)10-13-3-4-15-10/h1-5H,12H2
InChIKeyQTKQYQIBPQULSS-UHFFFAOYSA-N
MW222.24 g/mol
LogP2.10
Rot. Bonds2

About (5-amino-2-fluorophenyl)-(1,3-thiazol-2-yl)methanone

(5-amino-2-fluorophenyl)-(1,3-thiazol-2-yl)methanone (PubChem CID 143451810) has the molecular formula C10H7FN2OS and a molecular weight of 222.24 g/mol. Its IUPAC name is (5-amino-2-fluorophenyl)-(1,3-thiazol-2-yl)methanone.

Molecular Properties

Compound Name(5-amino-2-fluorophenyl)-(1,3-thiazol-2-yl)methanone
PubChem CID143451810
Molecular FormulaC10H7FN2OS
Molecular Weight222.24 g/mol
Exact Mass222.03
IUPAC Name(5-amino-2-fluorophenyl)-(1,3-thiazol-2-yl)methanone
SMILESNc1ccc(F)c(C(=O)c2nccs2)c1
InChIInChI=1S/C10H7FN2OS/c11-8-2-1-6(12)5-7(8)9(14)10-13-3-4-15-10/h1-5H,12H2
InChIKeyQTKQYQIBPQULSS-UHFFFAOYSA-N
XLogP2.10
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-amino-2-fluorophenyl)-(1,3-thiazol-2-yl)methanone?
The IUPAC name of (5-amino-2-fluorophenyl)-(1,3-thiazol-2-yl)methanone (CID 143451810) is (5-amino-2-fluorophenyl)-(1,3-thiazol-2-yl)methanone.
What is the SMILES notation for (5-amino-2-fluorophenyl)-(1,3-thiazol-2-yl)methanone?
The canonical SMILES for (5-amino-2-fluorophenyl)-(1,3-thiazol-2-yl)methanone is Nc1ccc(F)c(C(=O)c2nccs2)c1.
What is the InChIKey of (5-amino-2-fluorophenyl)-(1,3-thiazol-2-yl)methanone?
The InChIKey is QTKQYQIBPQULSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2OS/c11-8-2-1-6(12)5-7(8)9(14)10-13-3-4-15-10/h1-5H,12H2.
What are the key properties of (5-amino-2-fluorophenyl)-(1,3-thiazol-2-yl)methanone?
(5-amino-2-fluorophenyl)-(1,3-thiazol-2-yl)methanone has a molecular weight of 222.24 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-fluorophenyl)-(1,3-thiazol-2-yl)methanone is sourced from PubChem (CID 143451810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).