cyclobutyl-[(4R)-4-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]-1,3-thiazolidin-3-yl]methanone

C15H23F2N3O2S — CID 95294811

IUPACcyclobutyl-[(4R)-4-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]-1,3-thiazolidin-3-yl]methanone
SMILESO=C([C@@H]1CSCN1C(=O)C1CCC1)N1CCN(CC(F)F)CC1
InChIInChI=1S/C15H23F2N3O2S/c16-13(17)8-18-4-6-19(7-5-18)15(22)12-9-23-10-20(12)14(21)11-2-1-3-11/h11-13H,1-10H2/t12-/m0/s1
InChIKeyRYWPXAPJYDJBTL-LBPRGKRZSA-N
MW347.43 g/mol
LogP1.10
Rot. Bonds4

About cyclobutyl-[(4R)-4-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]-1,3-thiazolidin-3-yl]methanone

cyclobutyl-[(4R)-4-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]-1,3-thiazolidin-3-yl]methanone (PubChem CID 95294811) has the molecular formula C15H23F2N3O2S and a molecular weight of 347.43 g/mol. Its IUPAC name is cyclobutyl-[(4R)-4-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]-1,3-thiazolidin-3-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[(4R)-4-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]-1,3-thiazolidin-3-yl]methanone
PubChem CID95294811
Molecular FormulaC15H23F2N3O2S
Molecular Weight347.43 g/mol
Exact Mass347.15
IUPAC Namecyclobutyl-[(4R)-4-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]-1,3-thiazolidin-3-yl]methanone
SMILESO=C([C@@H]1CSCN1C(=O)C1CCC1)N1CCN(CC(F)F)CC1
InChIInChI=1S/C15H23F2N3O2S/c16-13(17)8-18-4-6-19(7-5-18)15(22)12-9-23-10-20(12)14(21)11-2-1-3-11/h11-13H,1-10H2/t12-/m0/s1
InChIKeyRYWPXAPJYDJBTL-LBPRGKRZSA-N
XLogP1.10
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[(4R)-4-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]-1,3-thiazolidin-3-yl]methanone?
The IUPAC name of cyclobutyl-[(4R)-4-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]-1,3-thiazolidin-3-yl]methanone (CID 95294811) is cyclobutyl-[(4R)-4-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]-1,3-thiazolidin-3-yl]methanone.
What is the SMILES notation for cyclobutyl-[(4R)-4-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]-1,3-thiazolidin-3-yl]methanone?
The canonical SMILES for cyclobutyl-[(4R)-4-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]-1,3-thiazolidin-3-yl]methanone is O=C([C@@H]1CSCN1C(=O)C1CCC1)N1CCN(CC(F)F)CC1.
What is the InChIKey of cyclobutyl-[(4R)-4-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]-1,3-thiazolidin-3-yl]methanone?
The InChIKey is RYWPXAPJYDJBTL-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H23F2N3O2S/c16-13(17)8-18-4-6-19(7-5-18)15(22)12-9-23-10-20(12)14(21)11-2-1-3-11/h11-13H,1-10H2/t12-/m0/s1.
What are the key properties of cyclobutyl-[(4R)-4-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]-1,3-thiazolidin-3-yl]methanone?
cyclobutyl-[(4R)-4-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]-1,3-thiazolidin-3-yl]methanone has a molecular weight of 347.43 g/mol, XLogP of 1.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[(4R)-4-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]-1,3-thiazolidin-3-yl]methanone is sourced from PubChem (CID 95294811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).