2-(2,4-difluorophenyl)-1,3-thiazol-4-amine

C9H6F2N2S — CID 69225936

IUPAC2-(2,4-difluorophenyl)-1,3-thiazol-4-amine
SMILESNc1csc(-c2ccc(F)cc2F)n1
InChIInChI=1S/C9H6F2N2S/c10-5-1-2-6(7(11)3-5)9-13-8(12)4-14-9/h1-4H,12H2
InChIKeyQVNHAECXWWYSHU-UHFFFAOYSA-N
MW212.22 g/mol
LogP2.67
Rot. Bonds1

About 2-(2,4-difluorophenyl)-1,3-thiazol-4-amine

2-(2,4-difluorophenyl)-1,3-thiazol-4-amine (PubChem CID 69225936) has the molecular formula C9H6F2N2S and a molecular weight of 212.22 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-1,3-thiazol-4-amine.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-1,3-thiazol-4-amine
PubChem CID69225936
Molecular FormulaC9H6F2N2S
Molecular Weight212.22 g/mol
Exact Mass212.02
IUPAC Name2-(2,4-difluorophenyl)-1,3-thiazol-4-amine
SMILESNc1csc(-c2ccc(F)cc2F)n1
InChIInChI=1S/C9H6F2N2S/c10-5-1-2-6(7(11)3-5)9-13-8(12)4-14-9/h1-4H,12H2
InChIKeyQVNHAECXWWYSHU-UHFFFAOYSA-N
XLogP2.67
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-1,3-thiazol-4-amine?
The IUPAC name of 2-(2,4-difluorophenyl)-1,3-thiazol-4-amine (CID 69225936) is 2-(2,4-difluorophenyl)-1,3-thiazol-4-amine.
What is the SMILES notation for 2-(2,4-difluorophenyl)-1,3-thiazol-4-amine?
The canonical SMILES for 2-(2,4-difluorophenyl)-1,3-thiazol-4-amine is Nc1csc(-c2ccc(F)cc2F)n1.
What is the InChIKey of 2-(2,4-difluorophenyl)-1,3-thiazol-4-amine?
The InChIKey is QVNHAECXWWYSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2N2S/c10-5-1-2-6(7(11)3-5)9-13-8(12)4-14-9/h1-4H,12H2.
What are the key properties of 2-(2,4-difluorophenyl)-1,3-thiazol-4-amine?
2-(2,4-difluorophenyl)-1,3-thiazol-4-amine has a molecular weight of 212.22 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-1,3-thiazol-4-amine is sourced from PubChem (CID 69225936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).