2-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide

C21H21F3N4OS2 — CID 30486851

IUPAC2-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1CCN(Cc2nc(-c3cccs3)cs2)CC1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C21H21F3N4OS2/c22-21(23,24)15-4-1-2-5-16(15)25-19(29)12-27-7-9-28(10-8-27)13-20-26-17(14-31-20)18-6-3-11-30-18/h1-6,11,14H,7-10,12-13H2,(H,25,29)
InChIKeyLWZKQWIKORBXJU-UHFFFAOYSA-N
MW466.55 g/mol
LogP4.65
Rot. Bonds6

About 2-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide

2-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 30486851) has the molecular formula C21H21F3N4OS2 and a molecular weight of 466.55 g/mol. Its IUPAC name is 2-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID30486851
Molecular FormulaC21H21F3N4OS2
Molecular Weight466.55 g/mol
Exact Mass466.11
IUPAC Name2-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1CCN(Cc2nc(-c3cccs3)cs2)CC1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C21H21F3N4OS2/c22-21(23,24)15-4-1-2-5-16(15)25-19(29)12-27-7-9-28(10-8-27)13-20-26-17(14-31-20)18-6-3-11-30-18/h1-6,11,14H,7-10,12-13H2,(H,25,29)
InChIKeyLWZKQWIKORBXJU-UHFFFAOYSA-N
XLogP4.65
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.55
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 30486851) is 2-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide is O=C(CN1CCN(Cc2nc(-c3cccs3)cs2)CC1)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is LWZKQWIKORBXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N4OS2/c22-21(23,24)15-4-1-2-5-16(15)25-19(29)12-27-7-9-28(10-8-27)13-20-26-17(14-31-20)18-6-3-11-30-18/h1-6,11,14H,7-10,12-13H2,(H,25,29).
What are the key properties of 2-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 466.55 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 30486851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).