2-[(3R)-3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]-1,3-thiazole

C16H18F2N2S — CID 95866929

IUPAC2-[(3R)-3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]-1,3-thiazole
SMILESFc1ccc(CC[C@@H]2CCCN(c3nccs3)C2)c(F)c1
InChIInChI=1S/C16H18F2N2S/c17-14-6-5-13(15(18)10-14)4-3-12-2-1-8-20(11-12)16-19-7-9-21-16/h5-7,9-10,12H,1-4,8,11H2/t12-/m0/s1
InChIKeyGWORSFOAONSZNV-LBPRGKRZSA-N
MW308.40 g/mol
LogP4.27
Rot. Bonds4

About 2-[(3R)-3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]-1,3-thiazole

2-[(3R)-3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]-1,3-thiazole (PubChem CID 95866929) has the molecular formula C16H18F2N2S and a molecular weight of 308.40 g/mol. Its IUPAC name is 2-[(3R)-3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(3R)-3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]-1,3-thiazole
PubChem CID95866929
Molecular FormulaC16H18F2N2S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name2-[(3R)-3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]-1,3-thiazole
SMILESFc1ccc(CC[C@@H]2CCCN(c3nccs3)C2)c(F)c1
InChIInChI=1S/C16H18F2N2S/c17-14-6-5-13(15(18)10-14)4-3-12-2-1-8-20(11-12)16-19-7-9-21-16/h5-7,9-10,12H,1-4,8,11H2/t12-/m0/s1
InChIKeyGWORSFOAONSZNV-LBPRGKRZSA-N
XLogP4.27
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]-1,3-thiazole?
The IUPAC name of 2-[(3R)-3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]-1,3-thiazole (CID 95866929) is 2-[(3R)-3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]-1,3-thiazole.
What is the SMILES notation for 2-[(3R)-3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]-1,3-thiazole?
The canonical SMILES for 2-[(3R)-3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]-1,3-thiazole is Fc1ccc(CC[C@@H]2CCCN(c3nccs3)C2)c(F)c1.
What is the InChIKey of 2-[(3R)-3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]-1,3-thiazole?
The InChIKey is GWORSFOAONSZNV-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H18F2N2S/c17-14-6-5-13(15(18)10-14)4-3-12-2-1-8-20(11-12)16-19-7-9-21-16/h5-7,9-10,12H,1-4,8,11H2/t12-/m0/s1.
What are the key properties of 2-[(3R)-3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]-1,3-thiazole?
2-[(3R)-3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]-1,3-thiazole has a molecular weight of 308.40 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]-1,3-thiazole is sourced from PubChem (CID 95866929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).