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

C11H10ClFN2S — CID 60941783

IUPAC5-chloro-2-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
SMILESCc1ncc(CNc2cc(Cl)ccc2F)s1
InChIInChI=1S/C11H10ClFN2S/c1-7-14-5-9(16-7)6-15-11-4-8(12)2-3-10(11)13/h2-5,15H,6H2,1H3
InChIKeyCAKGRIJIZKYLIA-UHFFFAOYSA-N
MW256.73 g/mol
LogP3.86
Rot. Bonds3

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

5-chloro-2-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline (PubChem CID 60941783) has the molecular formula C11H10ClFN2S and a molecular weight of 256.73 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
PubChem CID60941783
Molecular FormulaC11H10ClFN2S
Molecular Weight256.73 g/mol
Exact Mass256.02
IUPAC Name5-chloro-2-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
SMILESCc1ncc(CNc2cc(Cl)ccc2F)s1
InChIInChI=1S/C11H10ClFN2S/c1-7-14-5-9(16-7)6-15-11-4-8(12)2-3-10(11)13/h2-5,15H,6H2,1H3
InChIKeyCAKGRIJIZKYLIA-UHFFFAOYSA-N
XLogP3.86
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline?
The IUPAC name of 5-chloro-2-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline (CID 60941783) is 5-chloro-2-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline.
What is the SMILES notation for 5-chloro-2-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline?
The canonical SMILES for 5-chloro-2-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline is Cc1ncc(CNc2cc(Cl)ccc2F)s1.
What is the InChIKey of 5-chloro-2-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline?
The InChIKey is CAKGRIJIZKYLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2S/c1-7-14-5-9(16-7)6-15-11-4-8(12)2-3-10(11)13/h2-5,15H,6H2,1H3.
What are the key properties of 5-chloro-2-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline?
5-chloro-2-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline has a molecular weight of 256.73 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline is sourced from PubChem (CID 60941783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).