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

C13H19F3N4OS — CID 71867570

IUPAC4-ethyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperazine-1-carboxamide
SMILESCCN1CCN(C(=O)NCCc2nc(C(F)(F)F)cs2)CC1
InChIInChI=1S/C13H19F3N4OS/c1-2-19-5-7-20(8-6-19)12(21)17-4-3-11-18-10(9-22-11)13(14,15)16/h9H,2-8H2,1H3,(H,17,21)
InChIKeyVXQJLIBCSYNXIR-UHFFFAOYSA-N
MW336.38 g/mol
LogP2.05
Rot. Bonds4

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

4-ethyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperazine-1-carboxamide (PubChem CID 71867570) has the molecular formula C13H19F3N4OS and a molecular weight of 336.38 g/mol. Its IUPAC name is 4-ethyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperazine-1-carboxamide
PubChem CID71867570
Molecular FormulaC13H19F3N4OS
Molecular Weight336.38 g/mol
Exact Mass336.12
IUPAC Name4-ethyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperazine-1-carboxamide
SMILESCCN1CCN(C(=O)NCCc2nc(C(F)(F)F)cs2)CC1
InChIInChI=1S/C13H19F3N4OS/c1-2-19-5-7-20(8-6-19)12(21)17-4-3-11-18-10(9-22-11)13(14,15)16/h9H,2-8H2,1H3,(H,17,21)
InChIKeyVXQJLIBCSYNXIR-UHFFFAOYSA-N
XLogP2.05
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperazine-1-carboxamide?
The IUPAC name of 4-ethyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperazine-1-carboxamide (CID 71867570) is 4-ethyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-ethyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-ethyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperazine-1-carboxamide is CCN1CCN(C(=O)NCCc2nc(C(F)(F)F)cs2)CC1.
What is the InChIKey of 4-ethyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperazine-1-carboxamide?
The InChIKey is VXQJLIBCSYNXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4OS/c1-2-19-5-7-20(8-6-19)12(21)17-4-3-11-18-10(9-22-11)13(14,15)16/h9H,2-8H2,1H3,(H,17,21).
What are the key properties of 4-ethyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperazine-1-carboxamide?
4-ethyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperazine-1-carboxamide has a molecular weight of 336.38 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 71867570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).