3-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]bicyclo[1.1.1]pentan-1-amine

C10H12F2N2S — CID 142474678

IUPAC3-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]bicyclo[1.1.1]pentan-1-amine
SMILESCC(F)(F)c1csc(C23CC(N)(C2)C3)n1
InChIInChI=1S/C10H12F2N2S/c1-8(11,12)6-2-15-7(14-6)9-3-10(13,4-9)5-9/h2H,3-5,13H2,1H3
InChIKeyRDPYVZKZESEMJL-UHFFFAOYSA-N
MW230.28 g/mol
LogP2.39
Rot. Bonds2

About 3-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]bicyclo[1.1.1]pentan-1-amine

3-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]bicyclo[1.1.1]pentan-1-amine (PubChem CID 142474678) has the molecular formula C10H12F2N2S and a molecular weight of 230.28 g/mol. Its IUPAC name is 3-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]bicyclo[1.1.1]pentan-1-amine.

Molecular Properties

Compound Name3-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]bicyclo[1.1.1]pentan-1-amine
PubChem CID142474678
Molecular FormulaC10H12F2N2S
Molecular Weight230.28 g/mol
Exact Mass230.07
IUPAC Name3-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]bicyclo[1.1.1]pentan-1-amine
SMILESCC(F)(F)c1csc(C23CC(N)(C2)C3)n1
InChIInChI=1S/C10H12F2N2S/c1-8(11,12)6-2-15-7(14-6)9-3-10(13,4-9)5-9/h2H,3-5,13H2,1H3
InChIKeyRDPYVZKZESEMJL-UHFFFAOYSA-N
XLogP2.39
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.28
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]bicyclo[1.1.1]pentan-1-amine?
The IUPAC name of 3-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]bicyclo[1.1.1]pentan-1-amine (CID 142474678) is 3-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]bicyclo[1.1.1]pentan-1-amine.
What is the SMILES notation for 3-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]bicyclo[1.1.1]pentan-1-amine?
The canonical SMILES for 3-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]bicyclo[1.1.1]pentan-1-amine is CC(F)(F)c1csc(C23CC(N)(C2)C3)n1.
What is the InChIKey of 3-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]bicyclo[1.1.1]pentan-1-amine?
The InChIKey is RDPYVZKZESEMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2S/c1-8(11,12)6-2-15-7(14-6)9-3-10(13,4-9)5-9/h2H,3-5,13H2,1H3.
What are the key properties of 3-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]bicyclo[1.1.1]pentan-1-amine?
3-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]bicyclo[1.1.1]pentan-1-amine has a molecular weight of 230.28 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]bicyclo[1.1.1]pentan-1-amine is sourced from PubChem (CID 142474678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).