2-ethoxy-N-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]benzamide

C18H22N4O3S — CID 18138965

IUPAC2-ethoxy-N-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]benzamide
SMILESCCOc1ccccc1C(=O)NCC(=O)N1CCN(c2nccs2)CC1
InChIInChI=1S/C18H22N4O3S/c1-2-25-15-6-4-3-5-14(15)17(24)20-13-16(23)21-8-10-22(11-9-21)18-19-7-12-26-18/h3-7,12H,2,8-11,13H2,1H3,(H,20,24)
InChIKeyIYPKRYRVYUDMLK-UHFFFAOYSA-N
MW374.47 g/mol
LogP1.62
Rot. Bonds6

About 2-ethoxy-N-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]benzamide

2-ethoxy-N-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]benzamide (PubChem CID 18138965) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is 2-ethoxy-N-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]benzamide
PubChem CID18138965
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC Name2-ethoxy-N-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]benzamide
SMILESCCOc1ccccc1C(=O)NCC(=O)N1CCN(c2nccs2)CC1
InChIInChI=1S/C18H22N4O3S/c1-2-25-15-6-4-3-5-14(15)17(24)20-13-16(23)21-8-10-22(11-9-21)18-19-7-12-26-18/h3-7,12H,2,8-11,13H2,1H3,(H,20,24)
InChIKeyIYPKRYRVYUDMLK-UHFFFAOYSA-N
XLogP1.62
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 7494427
N-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-2-ethoxybenzamide
CID 27670539
ethyl 4-[2-[2-[(2-ethoxybenzoyl)amino]acetyl]oxyacetyl]piperazine-1-carboxylate
CID 7807752
ethyl 2-[[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]amino]acetate
CID 43445563
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-ethoxybenzamide
CID 51160741
2-ethoxy-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 60708282
2-(propan-2-ylamino)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 60841085
ethyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 4056517
N-(2-ethoxyphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 36871528
2-ethoxy-N-[2-(9-methyl-6-azaspiro[3.5]nonan-6-yl)-2-oxoethyl]benzamide
CID 136520005
N-[2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2-ethoxybenzamide
CID 26679245
2-ethoxy-N-[2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-2-oxoethyl]benzamide
CID 51269810

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]benzamide?
The IUPAC name of 2-ethoxy-N-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]benzamide (CID 18138965) is 2-ethoxy-N-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]benzamide is CCOc1ccccc1C(=O)NCC(=O)N1CCN(c2nccs2)CC1.
What is the InChIKey of 2-ethoxy-N-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]benzamide?
The InChIKey is IYPKRYRVYUDMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-2-25-15-6-4-3-5-14(15)17(24)20-13-16(23)21-8-10-22(11-9-21)18-19-7-12-26-18/h3-7,12H,2,8-11,13H2,1H3,(H,20,24).
What are the key properties of 2-ethoxy-N-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]benzamide?
2-ethoxy-N-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]benzamide has a molecular weight of 374.47 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]benzamide is sourced from PubChem (CID 18138965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).