4-fluoro-3-(2-methyl-1,3-thiazol-4-yl)aniline

C10H9FN2S — CID 11830640

IUPAC4-fluoro-3-(2-methyl-1,3-thiazol-4-yl)aniline
SMILESCc1nc(-c2cc(N)ccc2F)cs1
InChIInChI=1S/C10H9FN2S/c1-6-13-10(5-14-6)8-4-7(12)2-3-9(8)11/h2-5H,12H2,1H3
InChIKeyXGZHUVUHQYBFIJ-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.84
Rot. Bonds1

About 4-fluoro-3-(2-methyl-1,3-thiazol-4-yl)aniline

4-fluoro-3-(2-methyl-1,3-thiazol-4-yl)aniline (PubChem CID 11830640) has the molecular formula C10H9FN2S and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-fluoro-3-(2-methyl-1,3-thiazol-4-yl)aniline.

Molecular Properties

Compound Name4-fluoro-3-(2-methyl-1,3-thiazol-4-yl)aniline
PubChem CID11830640
Molecular FormulaC10H9FN2S
Molecular Weight208.26 g/mol
Exact Mass208.05
IUPAC Name4-fluoro-3-(2-methyl-1,3-thiazol-4-yl)aniline
SMILESCc1nc(-c2cc(N)ccc2F)cs1
InChIInChI=1S/C10H9FN2S/c1-6-13-10(5-14-6)8-4-7(12)2-3-9(8)11/h2-5H,12H2,1H3
InChIKeyXGZHUVUHQYBFIJ-UHFFFAOYSA-N
XLogP2.84
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(2-methyl-1,3-thiazol-4-yl)aniline?
The IUPAC name of 4-fluoro-3-(2-methyl-1,3-thiazol-4-yl)aniline (CID 11830640) is 4-fluoro-3-(2-methyl-1,3-thiazol-4-yl)aniline.
What is the SMILES notation for 4-fluoro-3-(2-methyl-1,3-thiazol-4-yl)aniline?
The canonical SMILES for 4-fluoro-3-(2-methyl-1,3-thiazol-4-yl)aniline is Cc1nc(-c2cc(N)ccc2F)cs1.
What is the InChIKey of 4-fluoro-3-(2-methyl-1,3-thiazol-4-yl)aniline?
The InChIKey is XGZHUVUHQYBFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2S/c1-6-13-10(5-14-6)8-4-7(12)2-3-9(8)11/h2-5H,12H2,1H3.
What are the key properties of 4-fluoro-3-(2-methyl-1,3-thiazol-4-yl)aniline?
4-fluoro-3-(2-methyl-1,3-thiazol-4-yl)aniline has a molecular weight of 208.26 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(2-methyl-1,3-thiazol-4-yl)aniline is sourced from PubChem (CID 11830640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).