(3-aminothiophen-2-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone

C11H14F3N3OS — CID 61111291

IUPAC(3-aminothiophen-2-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
SMILESNc1ccsc1C(=O)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H14F3N3OS/c12-11(13,14)7-16-2-4-17(5-3-16)10(18)9-8(15)1-6-19-9/h1,6H,2-5,7,15H2
InChIKeyZMDPHXGYXRYULZ-UHFFFAOYSA-N
MW293.31 g/mol
LogP1.65
Rot. Bonds2

About (3-aminothiophen-2-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone

(3-aminothiophen-2-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone (PubChem CID 61111291) has the molecular formula C11H14F3N3OS and a molecular weight of 293.31 g/mol. Its IUPAC name is (3-aminothiophen-2-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-aminothiophen-2-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
PubChem CID61111291
Molecular FormulaC11H14F3N3OS
Molecular Weight293.31 g/mol
Exact Mass293.08
IUPAC Name(3-aminothiophen-2-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
SMILESNc1ccsc1C(=O)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H14F3N3OS/c12-11(13,14)7-16-2-4-17(5-3-16)10(18)9-8(15)1-6-19-9/h1,6H,2-5,7,15H2
InChIKeyZMDPHXGYXRYULZ-UHFFFAOYSA-N
XLogP1.65
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-aminothiophen-2-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The IUPAC name of (3-aminothiophen-2-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone (CID 61111291) is (3-aminothiophen-2-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-aminothiophen-2-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The canonical SMILES for (3-aminothiophen-2-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone is Nc1ccsc1C(=O)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of (3-aminothiophen-2-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The InChIKey is ZMDPHXGYXRYULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3OS/c12-11(13,14)7-16-2-4-17(5-3-16)10(18)9-8(15)1-6-19-9/h1,6H,2-5,7,15H2.
What are the key properties of (3-aminothiophen-2-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
(3-aminothiophen-2-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone has a molecular weight of 293.31 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminothiophen-2-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 61111291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).