4-(2,2-difluoroethyl)-3-ethyl-N-[1-(1,3-thiazol-2-yl)propyl]piperazine-1-carboxamide

C15H24F2N4OS — CID 75437484

IUPAC4-(2,2-difluoroethyl)-3-ethyl-N-[1-(1,3-thiazol-2-yl)propyl]piperazine-1-carboxamide
SMILESCCC(NC(=O)N1CCN(CC(F)F)C(CC)C1)c1nccs1
InChIInChI=1S/C15H24F2N4OS/c1-3-11-9-21(7-6-20(11)10-13(16)17)15(22)19-12(4-2)14-18-5-8-23-14/h5,8,11-13H,3-4,6-7,9-10H2,1-2H3,(H,19,22)
InChIKeyOILHDCXWKQVWGH-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.97
Rot. Bonds6

About 4-(2,2-difluoroethyl)-3-ethyl-N-[1-(1,3-thiazol-2-yl)propyl]piperazine-1-carboxamide

4-(2,2-difluoroethyl)-3-ethyl-N-[1-(1,3-thiazol-2-yl)propyl]piperazine-1-carboxamide (PubChem CID 75437484) has the molecular formula C15H24F2N4OS and a molecular weight of 346.45 g/mol. Its IUPAC name is 4-(2,2-difluoroethyl)-3-ethyl-N-[1-(1,3-thiazol-2-yl)propyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2,2-difluoroethyl)-3-ethyl-N-[1-(1,3-thiazol-2-yl)propyl]piperazine-1-carboxamide
PubChem CID75437484
Molecular FormulaC15H24F2N4OS
Molecular Weight346.45 g/mol
Exact Mass346.16
IUPAC Name4-(2,2-difluoroethyl)-3-ethyl-N-[1-(1,3-thiazol-2-yl)propyl]piperazine-1-carboxamide
SMILESCCC(NC(=O)N1CCN(CC(F)F)C(CC)C1)c1nccs1
InChIInChI=1S/C15H24F2N4OS/c1-3-11-9-21(7-6-20(11)10-13(16)17)15(22)19-12(4-2)14-18-5-8-23-14/h5,8,11-13H,3-4,6-7,9-10H2,1-2H3,(H,19,22)
InChIKeyOILHDCXWKQVWGH-UHFFFAOYSA-N
XLogP2.97
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethyl)-3-ethyl-N-[1-(1,3-thiazol-2-yl)propyl]piperazine-1-carboxamide?
The IUPAC name of 4-(2,2-difluoroethyl)-3-ethyl-N-[1-(1,3-thiazol-2-yl)propyl]piperazine-1-carboxamide (CID 75437484) is 4-(2,2-difluoroethyl)-3-ethyl-N-[1-(1,3-thiazol-2-yl)propyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2,2-difluoroethyl)-3-ethyl-N-[1-(1,3-thiazol-2-yl)propyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2,2-difluoroethyl)-3-ethyl-N-[1-(1,3-thiazol-2-yl)propyl]piperazine-1-carboxamide is CCC(NC(=O)N1CCN(CC(F)F)C(CC)C1)c1nccs1.
What is the InChIKey of 4-(2,2-difluoroethyl)-3-ethyl-N-[1-(1,3-thiazol-2-yl)propyl]piperazine-1-carboxamide?
The InChIKey is OILHDCXWKQVWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F2N4OS/c1-3-11-9-21(7-6-20(11)10-13(16)17)15(22)19-12(4-2)14-18-5-8-23-14/h5,8,11-13H,3-4,6-7,9-10H2,1-2H3,(H,19,22).
What are the key properties of 4-(2,2-difluoroethyl)-3-ethyl-N-[1-(1,3-thiazol-2-yl)propyl]piperazine-1-carboxamide?
4-(2,2-difluoroethyl)-3-ethyl-N-[1-(1,3-thiazol-2-yl)propyl]piperazine-1-carboxamide has a molecular weight of 346.45 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethyl)-3-ethyl-N-[1-(1,3-thiazol-2-yl)propyl]piperazine-1-carboxamide is sourced from PubChem (CID 75437484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).