[2-(5-fluoro-2-pyridinyl)-5-phenyl-1,3-thiazol-4-yl]methanamine

C15H12FN3S — CID 79718586

IUPAC[2-(5-fluoro-2-pyridinyl)-5-phenyl-1,3-thiazol-4-yl]methanamine
SMILESNCc1nc(-c2ccc(F)cn2)sc1-c1ccccc1
InChIInChI=1S/C15H12FN3S/c16-11-6-7-12(18-9-11)15-19-13(8-17)14(20-15)10-4-2-1-3-5-10/h1-7,9H,8,17H2
InChIKeyYFOKIXONSIAPKQ-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.47
Rot. Bonds3

About [2-(5-fluoro-2-pyridinyl)-5-phenyl-1,3-thiazol-4-yl]methanamine

[2-(5-fluoro-2-pyridinyl)-5-phenyl-1,3-thiazol-4-yl]methanamine (PubChem CID 79718586) has the molecular formula C15H12FN3S and a molecular weight of 285.35 g/mol. Its IUPAC name is [2-(5-fluoro-2-pyridinyl)-5-phenyl-1,3-thiazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-(5-fluoro-2-pyridinyl)-5-phenyl-1,3-thiazol-4-yl]methanamine
PubChem CID79718586
Molecular FormulaC15H12FN3S
Molecular Weight285.35 g/mol
Exact Mass285.07
IUPAC Name[2-(5-fluoro-2-pyridinyl)-5-phenyl-1,3-thiazol-4-yl]methanamine
SMILESNCc1nc(-c2ccc(F)cn2)sc1-c1ccccc1
InChIInChI=1S/C15H12FN3S/c16-11-6-7-12(18-9-11)15-19-13(8-17)14(20-15)10-4-2-1-3-5-10/h1-7,9H,8,17H2
InChIKeyYFOKIXONSIAPKQ-UHFFFAOYSA-N
XLogP3.47
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(5-fluoro-2-pyridinyl)-5-phenyl-1,3-thiazol-4-yl]methanamine?
The IUPAC name of [2-(5-fluoro-2-pyridinyl)-5-phenyl-1,3-thiazol-4-yl]methanamine (CID 79718586) is [2-(5-fluoro-2-pyridinyl)-5-phenyl-1,3-thiazol-4-yl]methanamine.
What is the SMILES notation for [2-(5-fluoro-2-pyridinyl)-5-phenyl-1,3-thiazol-4-yl]methanamine?
The canonical SMILES for [2-(5-fluoro-2-pyridinyl)-5-phenyl-1,3-thiazol-4-yl]methanamine is NCc1nc(-c2ccc(F)cn2)sc1-c1ccccc1.
What is the InChIKey of [2-(5-fluoro-2-pyridinyl)-5-phenyl-1,3-thiazol-4-yl]methanamine?
The InChIKey is YFOKIXONSIAPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3S/c16-11-6-7-12(18-9-11)15-19-13(8-17)14(20-15)10-4-2-1-3-5-10/h1-7,9H,8,17H2.
What are the key properties of [2-(5-fluoro-2-pyridinyl)-5-phenyl-1,3-thiazol-4-yl]methanamine?
[2-(5-fluoro-2-pyridinyl)-5-phenyl-1,3-thiazol-4-yl]methanamine has a molecular weight of 285.35 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-fluoro-2-pyridinyl)-5-phenyl-1,3-thiazol-4-yl]methanamine is sourced from PubChem (CID 79718586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).