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

C5H6F2N2S — CID 84764770

IUPAC2-(1,1-difluoroethyl)-1,3-thiazol-4-amine
SMILESCC(F)(F)c1nc(N)cs1
InChIInChI=1S/C5H6F2N2S/c1-5(6,7)4-9-3(8)2-10-4/h2H,8H2,1H3
InChIKeyUMBHDAXKYGBAPP-UHFFFAOYSA-N
MW164.18 g/mol
LogP1.84
Rot. Bonds1

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

2-(1,1-difluoroethyl)-1,3-thiazol-4-amine (PubChem CID 84764770) has the molecular formula C5H6F2N2S and a molecular weight of 164.18 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-1,3-thiazol-4-amine.

Molecular Properties

Compound Name2-(1,1-difluoroethyl)-1,3-thiazol-4-amine
PubChem CID84764770
Molecular FormulaC5H6F2N2S
Molecular Weight164.18 g/mol
Exact Mass164.02
IUPAC Name2-(1,1-difluoroethyl)-1,3-thiazol-4-amine
SMILESCC(F)(F)c1nc(N)cs1
InChIInChI=1S/C5H6F2N2S/c1-5(6,7)4-9-3(8)2-10-4/h2H,8H2,1H3
InChIKeyUMBHDAXKYGBAPP-UHFFFAOYSA-N
XLogP1.84
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.18
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroethyl)-1,3-thiazol-4-amine?
The IUPAC name of 2-(1,1-difluoroethyl)-1,3-thiazol-4-amine (CID 84764770) is 2-(1,1-difluoroethyl)-1,3-thiazol-4-amine.
What is the SMILES notation for 2-(1,1-difluoroethyl)-1,3-thiazol-4-amine?
The canonical SMILES for 2-(1,1-difluoroethyl)-1,3-thiazol-4-amine is CC(F)(F)c1nc(N)cs1.
What is the InChIKey of 2-(1,1-difluoroethyl)-1,3-thiazol-4-amine?
The InChIKey is UMBHDAXKYGBAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F2N2S/c1-5(6,7)4-9-3(8)2-10-4/h2H,8H2,1H3.
What are the key properties of 2-(1,1-difluoroethyl)-1,3-thiazol-4-amine?
2-(1,1-difluoroethyl)-1,3-thiazol-4-amine has a molecular weight of 164.18 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoroethyl)-1,3-thiazol-4-amine is sourced from PubChem (CID 84764770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).