4-bromo-2-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline

C11H10BrFN2S — CID 60941424

IUPAC4-bromo-2-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
SMILESCc1ncc(CNc2ccc(Br)cc2F)s1
InChIInChI=1S/C11H10BrFN2S/c1-7-14-5-9(16-7)6-15-11-3-2-8(12)4-10(11)13/h2-5,15H,6H2,1H3
InChIKeyLYOBVKOUORHYPK-UHFFFAOYSA-N
MW301.18 g/mol
LogP3.97
Rot. Bonds3

About 4-bromo-2-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline

4-bromo-2-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline (PubChem CID 60941424) has the molecular formula C11H10BrFN2S and a molecular weight of 301.18 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
PubChem CID60941424
Molecular FormulaC11H10BrFN2S
Molecular Weight301.18 g/mol
Exact Mass299.97
IUPAC Name4-bromo-2-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
SMILESCc1ncc(CNc2ccc(Br)cc2F)s1
InChIInChI=1S/C11H10BrFN2S/c1-7-14-5-9(16-7)6-15-11-3-2-8(12)4-10(11)13/h2-5,15H,6H2,1H3
InChIKeyLYOBVKOUORHYPK-UHFFFAOYSA-N
XLogP3.97
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline?
The IUPAC name of 4-bromo-2-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline (CID 60941424) is 4-bromo-2-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline.
What is the SMILES notation for 4-bromo-2-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline?
The canonical SMILES for 4-bromo-2-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline is Cc1ncc(CNc2ccc(Br)cc2F)s1.
What is the InChIKey of 4-bromo-2-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline?
The InChIKey is LYOBVKOUORHYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN2S/c1-7-14-5-9(16-7)6-15-11-3-2-8(12)4-10(11)13/h2-5,15H,6H2,1H3.
What are the key properties of 4-bromo-2-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline?
4-bromo-2-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline has a molecular weight of 301.18 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline is sourced from PubChem (CID 60941424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).