2,6-difluoro-1-N-(1,3-thiazol-2-ylmethyl)benzene-1,4-diamine

C10H9F2N3S — CID 61285822

IUPAC2,6-difluoro-1-N-(1,3-thiazol-2-ylmethyl)benzene-1,4-diamine
SMILESNc1cc(F)c(NCc2nccs2)c(F)c1
InChIInChI=1S/C10H9F2N3S/c11-7-3-6(13)4-8(12)10(7)15-5-9-14-1-2-16-9/h1-4,15H,5,13H2
InChIKeyQVZCSZWEWFYXEX-UHFFFAOYSA-N
MW241.27 g/mol
LogP2.62
Rot. Bonds3

About 2,6-difluoro-1-N-(1,3-thiazol-2-ylmethyl)benzene-1,4-diamine

2,6-difluoro-1-N-(1,3-thiazol-2-ylmethyl)benzene-1,4-diamine (PubChem CID 61285822) has the molecular formula C10H9F2N3S and a molecular weight of 241.27 g/mol. Its IUPAC name is 2,6-difluoro-1-N-(1,3-thiazol-2-ylmethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2,6-difluoro-1-N-(1,3-thiazol-2-ylmethyl)benzene-1,4-diamine
PubChem CID61285822
Molecular FormulaC10H9F2N3S
Molecular Weight241.27 g/mol
Exact Mass241.05
IUPAC Name2,6-difluoro-1-N-(1,3-thiazol-2-ylmethyl)benzene-1,4-diamine
SMILESNc1cc(F)c(NCc2nccs2)c(F)c1
InChIInChI=1S/C10H9F2N3S/c11-7-3-6(13)4-8(12)10(7)15-5-9-14-1-2-16-9/h1-4,15H,5,13H2
InChIKeyQVZCSZWEWFYXEX-UHFFFAOYSA-N
XLogP2.62
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 52.62
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

4-ethoxy-5-fluoro-2-N-(1,3-thiazol-2-ylmethyl)benzene-1,2-diamine
CID 55216858
4,6-dimethyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-2-amine
CID 61283291
2,3-difluoro-N-(1,3-thiazol-2-ylmethyl)aniline
CID 63657832
2,6-difluoro-1-N-(thiophen-3-ylmethyl)benzene-1,4-diamine
CID 63248075
2-N,3-N-bis(1,3-thiazol-2-ylmethyl)pyrazine-2,3-diamine
CID 86794222
2,6-dimethyl-N-(1,3-thiazol-2-ylmethyl)aniline
CID 79017119
2-methyl-4-N-(1,3-thiazol-2-ylmethyl)benzene-1,4-diamine
CID 61283842
2-ethoxy-4-fluoro-N-(1,3-thiazol-2-ylmethyl)aniline
CID 63657227
2,5-dibromo-N-(1,3-thiazol-2-ylmethyl)aniline
CID 63656219
4-fluoro-3-(1,3-thiazol-2-ylmethylamino)benzoic acid
CID 63656617
2-amino-3-fluoro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 62056645
2,6-difluoro-1-N-[(4-methyl-3-pyridinyl)methyl]benzene-1,4-diamine
CID 114954480

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-1-N-(1,3-thiazol-2-ylmethyl)benzene-1,4-diamine?
The IUPAC name of 2,6-difluoro-1-N-(1,3-thiazol-2-ylmethyl)benzene-1,4-diamine (CID 61285822) is 2,6-difluoro-1-N-(1,3-thiazol-2-ylmethyl)benzene-1,4-diamine.
What is the SMILES notation for 2,6-difluoro-1-N-(1,3-thiazol-2-ylmethyl)benzene-1,4-diamine?
The canonical SMILES for 2,6-difluoro-1-N-(1,3-thiazol-2-ylmethyl)benzene-1,4-diamine is Nc1cc(F)c(NCc2nccs2)c(F)c1.
What is the InChIKey of 2,6-difluoro-1-N-(1,3-thiazol-2-ylmethyl)benzene-1,4-diamine?
The InChIKey is QVZCSZWEWFYXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3S/c11-7-3-6(13)4-8(12)10(7)15-5-9-14-1-2-16-9/h1-4,15H,5,13H2.
What are the key properties of 2,6-difluoro-1-N-(1,3-thiazol-2-ylmethyl)benzene-1,4-diamine?
2,6-difluoro-1-N-(1,3-thiazol-2-ylmethyl)benzene-1,4-diamine has a molecular weight of 241.27 g/mol, XLogP of 2.62, 3 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-(1,3-thiazol-2-ylmethyl)benzene-1,4-diamine is sourced from PubChem (CID 61285822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).