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

C11H10ClFN2S — CID 60941775

IUPAC3-chloro-2-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
SMILESCc1ncc(CNc2cccc(Cl)c2F)s1
InChIInChI=1S/C11H10ClFN2S/c1-7-14-5-8(16-7)6-15-10-4-2-3-9(12)11(10)13/h2-5,15H,6H2,1H3
InChIKeyPILKLVSQCODGTN-UHFFFAOYSA-N
MW256.73 g/mol
LogP3.86
Rot. Bonds3

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

3-chloro-2-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline (PubChem CID 60941775) has the molecular formula C11H10ClFN2S and a molecular weight of 256.73 g/mol. Its IUPAC name is 3-chloro-2-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline.

Molecular Properties

Compound Name3-chloro-2-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
PubChem CID60941775
Molecular FormulaC11H10ClFN2S
Molecular Weight256.73 g/mol
Exact Mass256.02
IUPAC Name3-chloro-2-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
SMILESCc1ncc(CNc2cccc(Cl)c2F)s1
InChIInChI=1S/C11H10ClFN2S/c1-7-14-5-8(16-7)6-15-10-4-2-3-9(12)11(10)13/h2-5,15H,6H2,1H3
InChIKeyPILKLVSQCODGTN-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 3-chloro-2-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline?
The IUPAC name of 3-chloro-2-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline (CID 60941775) is 3-chloro-2-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline.
What is the SMILES notation for 3-chloro-2-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline?
The canonical SMILES for 3-chloro-2-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline is Cc1ncc(CNc2cccc(Cl)c2F)s1.
What is the InChIKey of 3-chloro-2-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline?
The InChIKey is PILKLVSQCODGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2S/c1-7-14-5-8(16-7)6-15-10-4-2-3-9(12)11(10)13/h2-5,15H,6H2,1H3.
What are the key properties of 3-chloro-2-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline?
3-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 3-chloro-2-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline is sourced from PubChem (CID 60941775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).