2-N-(3-fluorophenyl)-1,3-thiazole-2,5-diamine

C9H8FN3S — CID 102767447

IUPAC2-N-(3-fluorophenyl)-1,3-thiazole-2,5-diamine
SMILESNc1cnc(Nc2cccc(F)c2)s1
InChIInChI=1S/C9H8FN3S/c10-6-2-1-3-7(4-6)13-9-12-5-8(11)14-9/h1-5H,11H2,(H,12,13)
InChIKeyPIYGLWMXOUERNX-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.61
Rot. Bonds2

About 2-N-(3-fluorophenyl)-1,3-thiazole-2,5-diamine

2-N-(3-fluorophenyl)-1,3-thiazole-2,5-diamine (PubChem CID 102767447) has the molecular formula C9H8FN3S and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-N-(3-fluorophenyl)-1,3-thiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-(3-fluorophenyl)-1,3-thiazole-2,5-diamine
PubChem CID102767447
Molecular FormulaC9H8FN3S
Molecular Weight209.25 g/mol
Exact Mass209.04
IUPAC Name2-N-(3-fluorophenyl)-1,3-thiazole-2,5-diamine
SMILESNc1cnc(Nc2cccc(F)c2)s1
InChIInChI=1S/C9H8FN3S/c10-6-2-1-3-7(4-6)13-9-12-5-8(11)14-9/h1-5H,11H2,(H,12,13)
InChIKeyPIYGLWMXOUERNX-UHFFFAOYSA-N
XLogP2.61
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(3-fluorophenyl)-1,3-thiazole-2,5-diamine?
The IUPAC name of 2-N-(3-fluorophenyl)-1,3-thiazole-2,5-diamine (CID 102767447) is 2-N-(3-fluorophenyl)-1,3-thiazole-2,5-diamine.
What is the SMILES notation for 2-N-(3-fluorophenyl)-1,3-thiazole-2,5-diamine?
The canonical SMILES for 2-N-(3-fluorophenyl)-1,3-thiazole-2,5-diamine is Nc1cnc(Nc2cccc(F)c2)s1.
What is the InChIKey of 2-N-(3-fluorophenyl)-1,3-thiazole-2,5-diamine?
The InChIKey is PIYGLWMXOUERNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3S/c10-6-2-1-3-7(4-6)13-9-12-5-8(11)14-9/h1-5H,11H2,(H,12,13).
What are the key properties of 2-N-(3-fluorophenyl)-1,3-thiazole-2,5-diamine?
2-N-(3-fluorophenyl)-1,3-thiazole-2,5-diamine has a molecular weight of 209.25 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-fluorophenyl)-1,3-thiazole-2,5-diamine is sourced from PubChem (CID 102767447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).