1-(2,2-difluoroethyl)-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]piperidin-4-amine

C15H25F2N3S — CID 75515910

IUPAC1-(2,2-difluoroethyl)-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]piperidin-4-amine
SMILESCC(C)c1nc(C(C)NC2CCN(CC(F)F)CC2)cs1
InChIInChI=1S/C15H25F2N3S/c1-10(2)15-19-13(9-21-15)11(3)18-12-4-6-20(7-5-12)8-14(16)17/h9-12,14,18H,4-8H2,1-3H3
InChIKeyQTPRWRVHEOCYGA-UHFFFAOYSA-N
MW317.45 g/mol
LogP3.65
Rot. Bonds6

About 1-(2,2-difluoroethyl)-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]piperidin-4-amine

1-(2,2-difluoroethyl)-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]piperidin-4-amine (PubChem CID 75515910) has the molecular formula C15H25F2N3S and a molecular weight of 317.45 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]piperidin-4-amine
PubChem CID75515910
Molecular FormulaC15H25F2N3S
Molecular Weight317.45 g/mol
Exact Mass317.17
IUPAC Name1-(2,2-difluoroethyl)-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]piperidin-4-amine
SMILESCC(C)c1nc(C(C)NC2CCN(CC(F)F)CC2)cs1
InChIInChI=1S/C15H25F2N3S/c1-10(2)15-19-13(9-21-15)11(3)18-12-4-6-20(7-5-12)8-14(16)17/h9-12,14,18H,4-8H2,1-3H3
InChIKeyQTPRWRVHEOCYGA-UHFFFAOYSA-N
XLogP3.65
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.45
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,2-difluoroethyl)-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]piperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]piperidin-4-amine?
The IUPAC name of 1-(2,2-difluoroethyl)-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]piperidin-4-amine (CID 75515910) is 1-(2,2-difluoroethyl)-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]piperidin-4-amine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]piperidin-4-amine?
The canonical SMILES for 1-(2,2-difluoroethyl)-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]piperidin-4-amine is CC(C)c1nc(C(C)NC2CCN(CC(F)F)CC2)cs1.
What is the InChIKey of 1-(2,2-difluoroethyl)-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]piperidin-4-amine?
The InChIKey is QTPRWRVHEOCYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F2N3S/c1-10(2)15-19-13(9-21-15)11(3)18-12-4-6-20(7-5-12)8-14(16)17/h9-12,14,18H,4-8H2,1-3H3.
What are the key properties of 1-(2,2-difluoroethyl)-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]piperidin-4-amine?
1-(2,2-difluoroethyl)-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]piperidin-4-amine has a molecular weight of 317.45 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]piperidin-4-amine is sourced from PubChem (CID 75515910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).