4-(2-fluorobenzenecarboximidoyl)-6-(1,3-thiazol-5-yl)pyridin-3-amine

C15H11FN4S — CID 123546566

IUPAC4-(2-fluorobenzenecarboximidoyl)-6-(1,3-thiazol-5-yl)pyridin-3-amine
SMILES[H]/N=C(/c1cc(-c2cncs2)ncc1N)c1ccccc1F
InChIInChI=1S/C15H11FN4S/c16-11-4-2-1-3-9(11)15(18)10-5-13(20-6-12(10)17)14-7-19-8-21-14/h1-8,18H,17H2/b18-15+
InChIKeyPSOAFTFZCHCOGI-OBGWFSINSA-N
MW298.35 g/mol
LogP3.34
Rot. Bonds3

About 4-(2-fluorobenzenecarboximidoyl)-6-(1,3-thiazol-5-yl)pyridin-3-amine

4-(2-fluorobenzenecarboximidoyl)-6-(1,3-thiazol-5-yl)pyridin-3-amine (PubChem CID 123546566) has the molecular formula C15H11FN4S and a molecular weight of 298.35 g/mol. Its IUPAC name is 4-(2-fluorobenzenecarboximidoyl)-6-(1,3-thiazol-5-yl)pyridin-3-amine.

Molecular Properties

Compound Name4-(2-fluorobenzenecarboximidoyl)-6-(1,3-thiazol-5-yl)pyridin-3-amine
PubChem CID123546566
Molecular FormulaC15H11FN4S
Molecular Weight298.35 g/mol
Exact Mass298.07
IUPAC Name4-(2-fluorobenzenecarboximidoyl)-6-(1,3-thiazol-5-yl)pyridin-3-amine
SMILES[H]/N=C(/c1cc(-c2cncs2)ncc1N)c1ccccc1F
InChIInChI=1S/C15H11FN4S/c16-11-4-2-1-3-9(11)15(18)10-5-13(20-6-12(10)17)14-7-19-8-21-14/h1-8,18H,17H2/b18-15+
InChIKeyPSOAFTFZCHCOGI-OBGWFSINSA-N
XLogP3.34
TPSA75.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorobenzenecarboximidoyl)-6-(1,3-thiazol-5-yl)pyridin-3-amine?
The IUPAC name of 4-(2-fluorobenzenecarboximidoyl)-6-(1,3-thiazol-5-yl)pyridin-3-amine (CID 123546566) is 4-(2-fluorobenzenecarboximidoyl)-6-(1,3-thiazol-5-yl)pyridin-3-amine.
What is the SMILES notation for 4-(2-fluorobenzenecarboximidoyl)-6-(1,3-thiazol-5-yl)pyridin-3-amine?
The canonical SMILES for 4-(2-fluorobenzenecarboximidoyl)-6-(1,3-thiazol-5-yl)pyridin-3-amine is [H]/N=C(/c1cc(-c2cncs2)ncc1N)c1ccccc1F.
What is the InChIKey of 4-(2-fluorobenzenecarboximidoyl)-6-(1,3-thiazol-5-yl)pyridin-3-amine?
The InChIKey is PSOAFTFZCHCOGI-OBGWFSINSA-N. The full InChI is InChI=1S/C15H11FN4S/c16-11-4-2-1-3-9(11)15(18)10-5-13(20-6-12(10)17)14-7-19-8-21-14/h1-8,18H,17H2/b18-15+.
What are the key properties of 4-(2-fluorobenzenecarboximidoyl)-6-(1,3-thiazol-5-yl)pyridin-3-amine?
4-(2-fluorobenzenecarboximidoyl)-6-(1,3-thiazol-5-yl)pyridin-3-amine has a molecular weight of 298.35 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorobenzenecarboximidoyl)-6-(1,3-thiazol-5-yl)pyridin-3-amine is sourced from PubChem (CID 123546566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).