5-(1,1-difluoroethyl)-1-(1,3-thiazol-2-yl)pyrazol-4-amine

C8H8F2N4S — CID 176658729

IUPAC5-(1,1-difluoroethyl)-1-(1,3-thiazol-2-yl)pyrazol-4-amine
SMILESCC(F)(F)c1c(N)cnn1-c1nccs1
InChIInChI=1S/C8H8F2N4S/c1-8(9,10)6-5(11)4-13-14(6)7-12-2-3-15-7/h2-4H,11H2,1H3
InChIKeyQGEGDNWJICNMNT-UHFFFAOYSA-N
MW230.24 g/mol
LogP2.02
Rot. Bonds2

About 5-(1,1-difluoroethyl)-1-(1,3-thiazol-2-yl)pyrazol-4-amine

5-(1,1-difluoroethyl)-1-(1,3-thiazol-2-yl)pyrazol-4-amine (PubChem CID 176658729) has the molecular formula C8H8F2N4S and a molecular weight of 230.24 g/mol. Its IUPAC name is 5-(1,1-difluoroethyl)-1-(1,3-thiazol-2-yl)pyrazol-4-amine.

Molecular Properties

Compound Name5-(1,1-difluoroethyl)-1-(1,3-thiazol-2-yl)pyrazol-4-amine
PubChem CID176658729
Molecular FormulaC8H8F2N4S
Molecular Weight230.24 g/mol
Exact Mass230.04
IUPAC Name5-(1,1-difluoroethyl)-1-(1,3-thiazol-2-yl)pyrazol-4-amine
SMILESCC(F)(F)c1c(N)cnn1-c1nccs1
InChIInChI=1S/C8H8F2N4S/c1-8(9,10)6-5(11)4-13-14(6)7-12-2-3-15-7/h2-4H,11H2,1H3
InChIKeyQGEGDNWJICNMNT-UHFFFAOYSA-N
XLogP2.02
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1,1-difluoroethyl)-1-(1,3-thiazol-2-yl)pyrazol-4-amine?
The IUPAC name of 5-(1,1-difluoroethyl)-1-(1,3-thiazol-2-yl)pyrazol-4-amine (CID 176658729) is 5-(1,1-difluoroethyl)-1-(1,3-thiazol-2-yl)pyrazol-4-amine.
What is the SMILES notation for 5-(1,1-difluoroethyl)-1-(1,3-thiazol-2-yl)pyrazol-4-amine?
The canonical SMILES for 5-(1,1-difluoroethyl)-1-(1,3-thiazol-2-yl)pyrazol-4-amine is CC(F)(F)c1c(N)cnn1-c1nccs1.
What is the InChIKey of 5-(1,1-difluoroethyl)-1-(1,3-thiazol-2-yl)pyrazol-4-amine?
The InChIKey is QGEGDNWJICNMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N4S/c1-8(9,10)6-5(11)4-13-14(6)7-12-2-3-15-7/h2-4H,11H2,1H3.
What are the key properties of 5-(1,1-difluoroethyl)-1-(1,3-thiazol-2-yl)pyrazol-4-amine?
5-(1,1-difluoroethyl)-1-(1,3-thiazol-2-yl)pyrazol-4-amine has a molecular weight of 230.24 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-difluoroethyl)-1-(1,3-thiazol-2-yl)pyrazol-4-amine is sourced from PubChem (CID 176658729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).