5-(3,5-difluorophenyl)-1,3-thiazol-4-amine

C9H6F2N2S — CID 70951172

IUPAC5-(3,5-difluorophenyl)-1,3-thiazol-4-amine
SMILESNc1ncsc1-c1cc(F)cc(F)c1
InChIInChI=1S/C9H6F2N2S/c10-6-1-5(2-7(11)3-6)8-9(12)13-4-14-8/h1-4H,12H2
InChIKeyNMFVNQABFPXPAH-UHFFFAOYSA-N
MW212.22 g/mol
LogP2.67
Rot. Bonds1

About 5-(3,5-difluorophenyl)-1,3-thiazol-4-amine

5-(3,5-difluorophenyl)-1,3-thiazol-4-amine (PubChem CID 70951172) has the molecular formula C9H6F2N2S and a molecular weight of 212.22 g/mol. Its IUPAC name is 5-(3,5-difluorophenyl)-1,3-thiazol-4-amine.

Molecular Properties

Compound Name5-(3,5-difluorophenyl)-1,3-thiazol-4-amine
PubChem CID70951172
Molecular FormulaC9H6F2N2S
Molecular Weight212.22 g/mol
Exact Mass212.02
IUPAC Name5-(3,5-difluorophenyl)-1,3-thiazol-4-amine
SMILESNc1ncsc1-c1cc(F)cc(F)c1
InChIInChI=1S/C9H6F2N2S/c10-6-1-5(2-7(11)3-6)8-9(12)13-4-14-8/h1-4H,12H2
InChIKeyNMFVNQABFPXPAH-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 5-(3,5-difluorophenyl)-1,3-thiazol-4-amine?
The IUPAC name of 5-(3,5-difluorophenyl)-1,3-thiazol-4-amine (CID 70951172) is 5-(3,5-difluorophenyl)-1,3-thiazol-4-amine.
What is the SMILES notation for 5-(3,5-difluorophenyl)-1,3-thiazol-4-amine?
The canonical SMILES for 5-(3,5-difluorophenyl)-1,3-thiazol-4-amine is Nc1ncsc1-c1cc(F)cc(F)c1.
What is the InChIKey of 5-(3,5-difluorophenyl)-1,3-thiazol-4-amine?
The InChIKey is NMFVNQABFPXPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2N2S/c10-6-1-5(2-7(11)3-6)8-9(12)13-4-14-8/h1-4H,12H2.
What are the key properties of 5-(3,5-difluorophenyl)-1,3-thiazol-4-amine?
5-(3,5-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 5-(3,5-difluorophenyl)-1,3-thiazol-4-amine is sourced from PubChem (CID 70951172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).