2-fluoro-1-N-(1,3-thiazol-4-ylmethyl)benzene-1,4-diamine

C10H10FN3S — CID 63830940

IUPAC2-fluoro-1-N-(1,3-thiazol-4-ylmethyl)benzene-1,4-diamine
SMILESNc1ccc(NCc2cscn2)c(F)c1
InChIInChI=1S/C10H10FN3S/c11-9-3-7(12)1-2-10(9)13-4-8-5-15-6-14-8/h1-3,5-6,13H,4,12H2
InChIKeyGLLNUWHBAQIIJN-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.48
Rot. Bonds3

About 2-fluoro-1-N-(1,3-thiazol-4-ylmethyl)benzene-1,4-diamine

2-fluoro-1-N-(1,3-thiazol-4-ylmethyl)benzene-1,4-diamine (PubChem CID 63830940) has the molecular formula C10H10FN3S and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-fluoro-1-N-(1,3-thiazol-4-ylmethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-fluoro-1-N-(1,3-thiazol-4-ylmethyl)benzene-1,4-diamine
PubChem CID63830940
Molecular FormulaC10H10FN3S
Molecular Weight223.28 g/mol
Exact Mass223.06
IUPAC Name2-fluoro-1-N-(1,3-thiazol-4-ylmethyl)benzene-1,4-diamine
SMILESNc1ccc(NCc2cscn2)c(F)c1
InChIInChI=1S/C10H10FN3S/c11-9-3-7(12)1-2-10(9)13-4-8-5-15-6-14-8/h1-3,5-6,13H,4,12H2
InChIKeyGLLNUWHBAQIIJN-UHFFFAOYSA-N
XLogP2.48
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.48
H-Bond Donors ≤ 52
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 2-fluoro-1-N-(1,3-thiazol-4-ylmethyl)benzene-1,4-diamine?
The IUPAC name of 2-fluoro-1-N-(1,3-thiazol-4-ylmethyl)benzene-1,4-diamine (CID 63830940) is 2-fluoro-1-N-(1,3-thiazol-4-ylmethyl)benzene-1,4-diamine.
What is the SMILES notation for 2-fluoro-1-N-(1,3-thiazol-4-ylmethyl)benzene-1,4-diamine?
The canonical SMILES for 2-fluoro-1-N-(1,3-thiazol-4-ylmethyl)benzene-1,4-diamine is Nc1ccc(NCc2cscn2)c(F)c1.
What is the InChIKey of 2-fluoro-1-N-(1,3-thiazol-4-ylmethyl)benzene-1,4-diamine?
The InChIKey is GLLNUWHBAQIIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3S/c11-9-3-7(12)1-2-10(9)13-4-8-5-15-6-14-8/h1-3,5-6,13H,4,12H2.
What are the key properties of 2-fluoro-1-N-(1,3-thiazol-4-ylmethyl)benzene-1,4-diamine?
2-fluoro-1-N-(1,3-thiazol-4-ylmethyl)benzene-1,4-diamine has a molecular weight of 223.28 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-N-(1,3-thiazol-4-ylmethyl)benzene-1,4-diamine is sourced from PubChem (CID 63830940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).