4-(5-bromo-1,3-thiazol-2-yl)-2-fluoro-N-methylaniline

C10H8BrFN2S — CID 137411906

IUPAC4-(5-bromo-1,3-thiazol-2-yl)-2-fluoro-N-methylaniline
SMILESCNc1ccc(-c2ncc(Br)s2)cc1F
InChIInChI=1S/C10H8BrFN2S/c1-13-8-3-2-6(4-7(8)12)10-14-5-9(11)15-10/h2-5,13H,1H3
InChIKeySUFAYSCBZYFSNR-UHFFFAOYSA-N
MW287.16 g/mol
LogP3.75
Rot. Bonds2

About 4-(5-bromo-1,3-thiazol-2-yl)-2-fluoro-N-methylaniline

4-(5-bromo-1,3-thiazol-2-yl)-2-fluoro-N-methylaniline (PubChem CID 137411906) has the molecular formula C10H8BrFN2S and a molecular weight of 287.16 g/mol. Its IUPAC name is 4-(5-bromo-1,3-thiazol-2-yl)-2-fluoro-N-methylaniline.

Molecular Properties

Compound Name4-(5-bromo-1,3-thiazol-2-yl)-2-fluoro-N-methylaniline
PubChem CID137411906
Molecular FormulaC10H8BrFN2S
Molecular Weight287.16 g/mol
Exact Mass285.96
IUPAC Name4-(5-bromo-1,3-thiazol-2-yl)-2-fluoro-N-methylaniline
SMILESCNc1ccc(-c2ncc(Br)s2)cc1F
InChIInChI=1S/C10H8BrFN2S/c1-13-8-3-2-6(4-7(8)12)10-14-5-9(11)15-10/h2-5,13H,1H3
InChIKeySUFAYSCBZYFSNR-UHFFFAOYSA-N
XLogP3.75
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-1,3-thiazol-2-yl)-2-fluoro-N-methylaniline?
The IUPAC name of 4-(5-bromo-1,3-thiazol-2-yl)-2-fluoro-N-methylaniline (CID 137411906) is 4-(5-bromo-1,3-thiazol-2-yl)-2-fluoro-N-methylaniline.
What is the SMILES notation for 4-(5-bromo-1,3-thiazol-2-yl)-2-fluoro-N-methylaniline?
The canonical SMILES for 4-(5-bromo-1,3-thiazol-2-yl)-2-fluoro-N-methylaniline is CNc1ccc(-c2ncc(Br)s2)cc1F.
What is the InChIKey of 4-(5-bromo-1,3-thiazol-2-yl)-2-fluoro-N-methylaniline?
The InChIKey is SUFAYSCBZYFSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFN2S/c1-13-8-3-2-6(4-7(8)12)10-14-5-9(11)15-10/h2-5,13H,1H3.
What are the key properties of 4-(5-bromo-1,3-thiazol-2-yl)-2-fluoro-N-methylaniline?
4-(5-bromo-1,3-thiazol-2-yl)-2-fluoro-N-methylaniline has a molecular weight of 287.16 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-1,3-thiazol-2-yl)-2-fluoro-N-methylaniline is sourced from PubChem (CID 137411906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).