4-bromo-N-(2-fluoro-3-methylphenyl)-1,3-thiazol-2-amine

C10H8BrFN2S — CID 130497378

IUPAC4-bromo-N-(2-fluoro-3-methylphenyl)-1,3-thiazol-2-amine
SMILESCc1cccc(Nc2nc(Br)cs2)c1F
InChIInChI=1S/C10H8BrFN2S/c1-6-3-2-4-7(9(6)12)13-10-14-8(11)5-15-10/h2-5H,1H3,(H,13,14)
InChIKeyNSPTTZAUZYVGOI-UHFFFAOYSA-N
MW287.16 g/mol
LogP4.10
Rot. Bonds2

About 4-bromo-N-(2-fluoro-3-methylphenyl)-1,3-thiazol-2-amine

4-bromo-N-(2-fluoro-3-methylphenyl)-1,3-thiazol-2-amine (PubChem CID 130497378) has the molecular formula C10H8BrFN2S and a molecular weight of 287.16 g/mol. Its IUPAC name is 4-bromo-N-(2-fluoro-3-methylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-bromo-N-(2-fluoro-3-methylphenyl)-1,3-thiazol-2-amine
PubChem CID130497378
Molecular FormulaC10H8BrFN2S
Molecular Weight287.16 g/mol
Exact Mass285.96
IUPAC Name4-bromo-N-(2-fluoro-3-methylphenyl)-1,3-thiazol-2-amine
SMILESCc1cccc(Nc2nc(Br)cs2)c1F
InChIInChI=1S/C10H8BrFN2S/c1-6-3-2-4-7(9(6)12)13-10-14-8(11)5-15-10/h2-5H,1H3,(H,13,14)
InChIKeyNSPTTZAUZYVGOI-UHFFFAOYSA-N
XLogP4.10
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 ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-fluoro-3-methylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-bromo-N-(2-fluoro-3-methylphenyl)-1,3-thiazol-2-amine (CID 130497378) is 4-bromo-N-(2-fluoro-3-methylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-bromo-N-(2-fluoro-3-methylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-bromo-N-(2-fluoro-3-methylphenyl)-1,3-thiazol-2-amine is Cc1cccc(Nc2nc(Br)cs2)c1F.
What is the InChIKey of 4-bromo-N-(2-fluoro-3-methylphenyl)-1,3-thiazol-2-amine?
The InChIKey is NSPTTZAUZYVGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFN2S/c1-6-3-2-4-7(9(6)12)13-10-14-8(11)5-15-10/h2-5H,1H3,(H,13,14).
What are the key properties of 4-bromo-N-(2-fluoro-3-methylphenyl)-1,3-thiazol-2-amine?
4-bromo-N-(2-fluoro-3-methylphenyl)-1,3-thiazol-2-amine has a molecular weight of 287.16 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-fluoro-3-methylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 130497378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).