2,6-difluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline

C11H10F2N2S — CID 60941776

IUPAC2,6-difluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
SMILESCc1ncc(CNc2c(F)cccc2F)s1
InChIInChI=1S/C11H10F2N2S/c1-7-14-5-8(16-7)6-15-11-9(12)3-2-4-10(11)13/h2-5,15H,6H2,1H3
InChIKeyJBNYWZDXLLOMMJ-UHFFFAOYSA-N
MW240.28 g/mol
LogP3.34
Rot. Bonds3

About 2,6-difluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline

2,6-difluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline (PubChem CID 60941776) has the molecular formula C11H10F2N2S and a molecular weight of 240.28 g/mol. Its IUPAC name is 2,6-difluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline.

Molecular Properties

Compound Name2,6-difluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
PubChem CID60941776
Molecular FormulaC11H10F2N2S
Molecular Weight240.28 g/mol
Exact Mass240.05
IUPAC Name2,6-difluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
SMILESCc1ncc(CNc2c(F)cccc2F)s1
InChIInChI=1S/C11H10F2N2S/c1-7-14-5-8(16-7)6-15-11-9(12)3-2-4-10(11)13/h2-5,15H,6H2,1H3
InChIKeyJBNYWZDXLLOMMJ-UHFFFAOYSA-N
XLogP3.34
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3,4-trifluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 54868744
2-fluoro-6-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]phenol
CID 112606660
4-chloro-3-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 60942118
1-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-3-fluorophenyl]ethanone
CID 168580633
3-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 60941535
3-bromo-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 103697075
6-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridine-2,6-diamine
CID 80646818
5-fluoro-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 60941542
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-fluoro-6-pentan-3-yloxyaniline
CID 168582652
2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-3-fluorobenzenesulfonamide
CID 168581306
4-fluoro-5-methyl-1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzene-1,2-diamine
CID 103590044
3-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 60941546

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline?
The IUPAC name of 2,6-difluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline (CID 60941776) is 2,6-difluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline.
What is the SMILES notation for 2,6-difluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline?
The canonical SMILES for 2,6-difluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline is Cc1ncc(CNc2c(F)cccc2F)s1.
What is the InChIKey of 2,6-difluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline?
The InChIKey is JBNYWZDXLLOMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2S/c1-7-14-5-8(16-7)6-15-11-9(12)3-2-4-10(11)13/h2-5,15H,6H2,1H3.
What are the key properties of 2,6-difluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline?
2,6-difluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline has a molecular weight of 240.28 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline is sourced from PubChem (CID 60941776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).