N-ethyl-N-[4-[[4-(thiophene-3-carbonyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

C17H22N4O2S2 — CID 47054184

IUPACN-ethyl-N-[4-[[4-(thiophene-3-carbonyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCCN(C(C)=O)c1nc(CN2CCN(C(=O)c3ccsc3)CC2)cs1
InChIInChI=1S/C17H22N4O2S2/c1-3-21(13(2)22)17-18-15(12-25-17)10-19-5-7-20(8-6-19)16(23)14-4-9-24-11-14/h4,9,11-12H,3,5-8,10H2,1-2H3
InChIKeyIMDMZVZQQJYDHB-UHFFFAOYSA-N
MW378.52 g/mol
LogP2.54
Rot. Bonds5

About N-ethyl-N-[4-[[4-(thiophene-3-carbonyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

N-ethyl-N-[4-[[4-(thiophene-3-carbonyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 47054184) has the molecular formula C17H22N4O2S2 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-ethyl-N-[4-[[4-(thiophene-3-carbonyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[4-[[4-(thiophene-3-carbonyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID47054184
Molecular FormulaC17H22N4O2S2
Molecular Weight378.52 g/mol
Exact Mass378.12
IUPAC NameN-ethyl-N-[4-[[4-(thiophene-3-carbonyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCCN(C(C)=O)c1nc(CN2CCN(C(=O)c3ccsc3)CC2)cs1
InChIInChI=1S/C17H22N4O2S2/c1-3-21(13(2)22)17-18-15(12-25-17)10-19-5-7-20(8-6-19)16(23)14-4-9-24-11-14/h4,9,11-12H,3,5-8,10H2,1-2H3
InChIKeyIMDMZVZQQJYDHB-UHFFFAOYSA-N
XLogP2.54
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-N-[4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 29440898
N-[4-[(4-aminopiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
CID 43556565
N-[4-[(3,4-dihydroxypyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
CID 106672998
N-ethyl-N-[4-[[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 71895768
N-ethyl-N-[4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 35015644
[4-[(1-phenylpyrazol-3-yl)methyl]piperazin-1-yl]-thiophen-3-ylmethanone
CID 47089961
N-[4-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide
CID 62062023
N-ethyl-N-[4-[(3-hydroxy-3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 115874190
N-[4-[[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]-1,3-thiazol-2-yl]-N-ethylacetamide;hydrochloride
CID 120660844
[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]-thiophen-3-ylmethanone
CID 90647769
[4-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-thiophen-3-ylmethanone
CID 75463056
[4-(2-chloroethyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 63395349

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[4-[[4-(thiophene-3-carbonyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-ethyl-N-[4-[[4-(thiophene-3-carbonyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 47054184) is N-ethyl-N-[4-[[4-(thiophene-3-carbonyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-ethyl-N-[4-[[4-(thiophene-3-carbonyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-ethyl-N-[4-[[4-(thiophene-3-carbonyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CCN(C(C)=O)c1nc(CN2CCN(C(=O)c3ccsc3)CC2)cs1.
What is the InChIKey of N-ethyl-N-[4-[[4-(thiophene-3-carbonyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is IMDMZVZQQJYDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S2/c1-3-21(13(2)22)17-18-15(12-25-17)10-19-5-7-20(8-6-19)16(23)14-4-9-24-11-14/h4,9,11-12H,3,5-8,10H2,1-2H3.
What are the key properties of N-ethyl-N-[4-[[4-(thiophene-3-carbonyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-ethyl-N-[4-[[4-(thiophene-3-carbonyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 378.52 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[4-[[4-(thiophene-3-carbonyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 47054184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).