N-[4-[2-oxo-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide

C23H26N4O3S2 — CID 38770657

IUPACN-[4-[2-oxo-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1nc(CC(=O)N2CCN(CCOc3ccccc3)CC2)cs1
InChIInChI=1S/C23H26N4O3S2/c28-21(16-20-7-4-14-31-20)25-23-24-18(17-32-23)15-22(29)27-10-8-26(9-11-27)12-13-30-19-5-2-1-3-6-19/h1-7,14,17H,8-13,15-16H2,(H,24,25,28)
InChIKeyQBVPSFUNTQLSFL-UHFFFAOYSA-N
MW470.62 g/mol
LogP3.15
Rot. Bonds9

About N-[4-[2-oxo-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide

N-[4-[2-oxo-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide (PubChem CID 38770657) has the molecular formula C23H26N4O3S2 and a molecular weight of 470.62 g/mol. Its IUPAC name is N-[4-[2-oxo-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[4-[2-oxo-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
PubChem CID38770657
Molecular FormulaC23H26N4O3S2
Molecular Weight470.62 g/mol
Exact Mass470.14
IUPAC NameN-[4-[2-oxo-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1nc(CC(=O)N2CCN(CCOc3ccccc3)CC2)cs1
InChIInChI=1S/C23H26N4O3S2/c28-21(16-20-7-4-14-31-20)25-23-24-18(17-32-23)15-22(29)27-10-8-26(9-11-27)12-13-30-19-5-2-1-3-6-19/h1-7,14,17H,8-13,15-16H2,(H,24,25,28)
InChIKeyQBVPSFUNTQLSFL-UHFFFAOYSA-N
XLogP3.15
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.62
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_E(2)', 'substructure': 'N/A'}

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Related Compounds

1-[4-(2-phenoxyethyl)piperazin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 110638111
N-[4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 55648397
N-[4-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 119489535
N-[4-[2-oxo-2-[2-(pyrrolidin-1-ylmethyl)anilino]ethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 55677053
N-[4-[2-oxo-2-[(4-phenylmethoxyphenyl)methylamino]ethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 55651041
1-[4-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-3-(thiophen-2-ylmethyl)urea
CID 44922386
N-[4-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]acetamide
CID 29173280
1-[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]-2-thiophen-2-ylethanone
CID 110638250
N-[4-[2-[(3-methyl-1-phenylbutyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 55650603
3-phenoxy-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]propanamide
CID 108554925
5-bromo-N-[4-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 78886276
N-[4-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)methylamino]ethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 55843339

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-oxo-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[4-[2-oxo-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide (CID 38770657) is N-[4-[2-oxo-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[4-[2-oxo-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[4-[2-oxo-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)Nc1nc(CC(=O)N2CCN(CCOc3ccccc3)CC2)cs1.
What is the InChIKey of N-[4-[2-oxo-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide?
The InChIKey is QBVPSFUNTQLSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3S2/c28-21(16-20-7-4-14-31-20)25-23-24-18(17-32-23)15-22(29)27-10-8-26(9-11-27)12-13-30-19-5-2-1-3-6-19/h1-7,14,17H,8-13,15-16H2,(H,24,25,28).
What are the key properties of N-[4-[2-oxo-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide?
N-[4-[2-oxo-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide has a molecular weight of 470.62 g/mol, XLogP of 3.15, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-oxo-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 38770657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).