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

C21H21F3N4OS2 — CID 30486855

IUPAC2-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1CCN(Cc2nc(-c3cccs3)cs2)CC1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H21F3N4OS2/c22-21(23,24)15-3-1-4-16(11-15)25-19(29)12-27-6-8-28(9-7-27)13-20-26-17(14-31-20)18-5-2-10-30-18/h1-5,10-11,14H,6-9,12-13H2,(H,25,29)
InChIKeyJCRMUQOQZCDUTB-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-[3-(trifluoromethyl)phenyl]acetamide

2-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 30486855) 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-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID30486855
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-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1CCN(Cc2nc(-c3cccs3)cs2)CC1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H21F3N4OS2/c22-21(23,24)15-3-1-4-16(11-15)25-19(29)12-27-6-8-28(9-7-27)13-20-26-17(14-31-20)18-5-2-10-30-18/h1-5,10-11,14H,6-9,12-13H2,(H,25,29)
InChIKeyJCRMUQOQZCDUTB-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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Related Compounds

N-phenyl-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide
CID 30464344
2-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 163344890
2-(4-hydroxypiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 31480654
2-(4-cyclopropylsulfonyl-1,4-diazepan-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 163344929
2-(4-cyclopentylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 34421603
2-[4-(hydroxymethyl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 60500965
N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]acetamide
CID 112801308
N-(3-chlorophenyl)-2-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide;oxalic acid
CID 71780580
2-[4-(difluoromethyl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 166601910
N-propan-2-yl-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide
CID 30464372
4-[[2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetyl]amino]benzamide
CID 30485988
2-[4-(triazol-1-yl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 42609562

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-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 30486855) is 2-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-[3-(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-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is O=C(CN1CCN(Cc2nc(-c3cccs3)cs2)CC1)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is JCRMUQOQZCDUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N4OS2/c22-21(23,24)15-3-1-4-16(11-15)25-19(29)12-27-6-8-28(9-7-27)13-20-26-17(14-31-20)18-5-2-10-30-18/h1-5,10-11,14H,6-9,12-13H2,(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-[3-(trifluoromethyl)phenyl]acetamide?
2-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-[3-(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-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 30486855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).