2,4-difluoro-5-(2-methyl-1,3-thiazol-4-yl)aniline

C10H8F2N2S — CID 11117740

IUPAC2,4-difluoro-5-(2-methyl-1,3-thiazol-4-yl)aniline
SMILESCc1nc(-c2cc(N)c(F)cc2F)cs1
InChIInChI=1S/C10H8F2N2S/c1-5-14-10(4-15-5)6-2-9(13)8(12)3-7(6)11/h2-4H,13H2,1H3
InChIKeyHVHWIASXPUYAKC-UHFFFAOYSA-N
MW226.25 g/mol
LogP2.98
Rot. Bonds1

About 2,4-difluoro-5-(2-methyl-1,3-thiazol-4-yl)aniline

2,4-difluoro-5-(2-methyl-1,3-thiazol-4-yl)aniline (PubChem CID 11117740) has the molecular formula C10H8F2N2S and a molecular weight of 226.25 g/mol. Its IUPAC name is 2,4-difluoro-5-(2-methyl-1,3-thiazol-4-yl)aniline.

Molecular Properties

Compound Name2,4-difluoro-5-(2-methyl-1,3-thiazol-4-yl)aniline
PubChem CID11117740
Molecular FormulaC10H8F2N2S
Molecular Weight226.25 g/mol
Exact Mass226.04
IUPAC Name2,4-difluoro-5-(2-methyl-1,3-thiazol-4-yl)aniline
SMILESCc1nc(-c2cc(N)c(F)cc2F)cs1
InChIInChI=1S/C10H8F2N2S/c1-5-14-10(4-15-5)6-2-9(13)8(12)3-7(6)11/h2-4H,13H2,1H3
InChIKeyHVHWIASXPUYAKC-UHFFFAOYSA-N
XLogP2.98
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 52.98
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 2,4-difluoro-5-(2-methyl-1,3-thiazol-4-yl)aniline?
The IUPAC name of 2,4-difluoro-5-(2-methyl-1,3-thiazol-4-yl)aniline (CID 11117740) is 2,4-difluoro-5-(2-methyl-1,3-thiazol-4-yl)aniline.
What is the SMILES notation for 2,4-difluoro-5-(2-methyl-1,3-thiazol-4-yl)aniline?
The canonical SMILES for 2,4-difluoro-5-(2-methyl-1,3-thiazol-4-yl)aniline is Cc1nc(-c2cc(N)c(F)cc2F)cs1.
What is the InChIKey of 2,4-difluoro-5-(2-methyl-1,3-thiazol-4-yl)aniline?
The InChIKey is HVHWIASXPUYAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2S/c1-5-14-10(4-15-5)6-2-9(13)8(12)3-7(6)11/h2-4H,13H2,1H3.
What are the key properties of 2,4-difluoro-5-(2-methyl-1,3-thiazol-4-yl)aniline?
2,4-difluoro-5-(2-methyl-1,3-thiazol-4-yl)aniline has a molecular weight of 226.25 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-5-(2-methyl-1,3-thiazol-4-yl)aniline is sourced from PubChem (CID 11117740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).