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

C20H21FN4OS2 — CID 8804931

IUPACN-(4-fluorophenyl)-2-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(Cc2csc(-c3ccsc3)n2)CC1)Nc1ccc(F)cc1
InChIInChI=1S/C20H21FN4OS2/c21-16-1-3-17(4-2-16)22-19(26)12-25-8-6-24(7-9-25)11-18-14-28-20(23-18)15-5-10-27-13-15/h1-5,10,13-14H,6-9,11-12H2,(H,22,26)
InChIKeyMZVCFPWNKAPOCB-UHFFFAOYSA-N
MW416.55 g/mol
LogP3.77
Rot. Bonds6

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

N-(4-fluorophenyl)-2-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetamide (PubChem CID 8804931) has the molecular formula C20H21FN4OS2 and a molecular weight of 416.55 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetamide
PubChem CID8804931
Molecular FormulaC20H21FN4OS2
Molecular Weight416.55 g/mol
Exact Mass416.11
IUPAC NameN-(4-fluorophenyl)-2-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(Cc2csc(-c3ccsc3)n2)CC1)Nc1ccc(F)cc1
InChIInChI=1S/C20H21FN4OS2/c21-16-1-3-17(4-2-16)22-19(26)12-25-8-6-24(7-9-25)11-18-14-28-20(23-18)15-5-10-27-13-15/h1-5,10,13-14H,6-9,11-12H2,(H,22,26)
InChIKeyMZVCFPWNKAPOCB-UHFFFAOYSA-N
XLogP3.77
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.55
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole
CID 30412348
[2-(4-fluoroanilino)-2-oxoethyl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate
CID 9129152
2-thiophen-3-yl-4-[[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]methyl]-1,3-thiazole
CID 31313736
1-[4-[4-[[4-(2-hydrazinyl-2-oxoethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]phenyl]-3-phenylurea
CID 66554017
N-(4-fluorophenyl)-2-[4-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoyl]piperazin-1-yl]acetamide
CID 38019028
N-(4-fluorophenyl)-2-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]acetamide
CID 45281436
2-amino-1-[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethanone
CID 119902970
tert-butyl 4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazine-1-carboxylate
CID 70975537
2-(4-benzylpiperazin-1-yl)-N-(4-fluorophenyl)acetamide
CID 847262
4-methyl-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-4-ol
CID 80703386
N-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 26958590
N-cyclopropyl-2-[4-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]acetamide
CID 17444952

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetamide (CID 8804931) is N-(4-fluorophenyl)-2-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetamide is O=C(CN1CCN(Cc2csc(-c3ccsc3)n2)CC1)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetamide?
The InChIKey is MZVCFPWNKAPOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4OS2/c21-16-1-3-17(4-2-16)22-19(26)12-25-8-6-24(7-9-25)11-18-14-28-20(23-18)15-5-10-27-13-15/h1-5,10,13-14H,6-9,11-12H2,(H,22,26).
What are the key properties of N-(4-fluorophenyl)-2-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetamide?
N-(4-fluorophenyl)-2-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetamide has a molecular weight of 416.55 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 8804931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).