2,6-difluoro-1-N-[2-(1,3-thiazol-4-yl)ethyl]benzene-1,4-diamine

C11H11F2N3S — CID 63830219

IUPAC2,6-difluoro-1-N-[2-(1,3-thiazol-4-yl)ethyl]benzene-1,4-diamine
SMILESNc1cc(F)c(NCCc2cscn2)c(F)c1
InChIInChI=1S/C11H11F2N3S/c12-9-3-7(14)4-10(13)11(9)15-2-1-8-5-17-6-16-8/h3-6,15H,1-2,14H2
InChIKeyFNRFZVMYOIHFIC-UHFFFAOYSA-N
MW255.29 g/mol
LogP2.66
Rot. Bonds4

About 2,6-difluoro-1-N-[2-(1,3-thiazol-4-yl)ethyl]benzene-1,4-diamine

2,6-difluoro-1-N-[2-(1,3-thiazol-4-yl)ethyl]benzene-1,4-diamine (PubChem CID 63830219) has the molecular formula C11H11F2N3S and a molecular weight of 255.29 g/mol. Its IUPAC name is 2,6-difluoro-1-N-[2-(1,3-thiazol-4-yl)ethyl]benzene-1,4-diamine.

Molecular Properties

Compound Name2,6-difluoro-1-N-[2-(1,3-thiazol-4-yl)ethyl]benzene-1,4-diamine
PubChem CID63830219
Molecular FormulaC11H11F2N3S
Molecular Weight255.29 g/mol
Exact Mass255.06
IUPAC Name2,6-difluoro-1-N-[2-(1,3-thiazol-4-yl)ethyl]benzene-1,4-diamine
SMILESNc1cc(F)c(NCCc2cscn2)c(F)c1
InChIInChI=1S/C11H11F2N3S/c12-9-3-7(14)4-10(13)11(9)15-2-1-8-5-17-6-16-8/h3-6,15H,1-2,14H2
InChIKeyFNRFZVMYOIHFIC-UHFFFAOYSA-N
XLogP2.66
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,5-difluoro-4-[2-(1,3-thiazol-4-yl)ethylamino]benzoic acid
CID 63825206
3-fluoro-1-N-[2-(1,3-thiazol-4-yl)ethyl]benzene-1,2-diamine
CID 63829324
5-amino-2,4-difluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 63830560
3-amino-5-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 63829852
2-ethoxy-4-N-[2-(1,3-thiazol-4-yl)ethyl]benzene-1,4-diamine
CID 63829691
4,5-dimethyl-2-N-[2-(1,3-thiazol-4-yl)ethyl]benzene-1,2-diamine
CID 114281261
2-fluoro-1-N-(1,3-thiazol-4-ylmethyl)benzene-1,4-diamine
CID 63830940
2-fluoro-4-[2-(1,3-thiazol-4-yl)ethylamino]benzonitrile
CID 115367543
4-N-[2-(1,3-thiazol-4-yl)ethyl]quinoline-4,7-diamine
CID 103001214
2-amino-5-[2-(1,3-thiazol-4-yl)ethylamino]benzonitrile
CID 115499504
5-amino-2-[2-(1,3-thiazol-4-yl)ethylamino]pyridine-3-carbonitrile
CID 63831128
6-hydrazinyl-2-methylsulfanyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine
CID 80910991

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-1-N-[2-(1,3-thiazol-4-yl)ethyl]benzene-1,4-diamine?
The IUPAC name of 2,6-difluoro-1-N-[2-(1,3-thiazol-4-yl)ethyl]benzene-1,4-diamine (CID 63830219) is 2,6-difluoro-1-N-[2-(1,3-thiazol-4-yl)ethyl]benzene-1,4-diamine.
What is the SMILES notation for 2,6-difluoro-1-N-[2-(1,3-thiazol-4-yl)ethyl]benzene-1,4-diamine?
The canonical SMILES for 2,6-difluoro-1-N-[2-(1,3-thiazol-4-yl)ethyl]benzene-1,4-diamine is Nc1cc(F)c(NCCc2cscn2)c(F)c1.
What is the InChIKey of 2,6-difluoro-1-N-[2-(1,3-thiazol-4-yl)ethyl]benzene-1,4-diamine?
The InChIKey is FNRFZVMYOIHFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3S/c12-9-3-7(14)4-10(13)11(9)15-2-1-8-5-17-6-16-8/h3-6,15H,1-2,14H2.
What are the key properties of 2,6-difluoro-1-N-[2-(1,3-thiazol-4-yl)ethyl]benzene-1,4-diamine?
2,6-difluoro-1-N-[2-(1,3-thiazol-4-yl)ethyl]benzene-1,4-diamine has a molecular weight of 255.29 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-1-N-[2-(1,3-thiazol-4-yl)ethyl]benzene-1,4-diamine is sourced from PubChem (CID 63830219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).