1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyethanone

C17H16N4O4S — CID 2493360

IUPAC1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyethanone
SMILESO=C(COc1ncnc2sccc12)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C17H16N4O4S/c22-14(10-25-15-12-3-9-26-16(12)19-11-18-15)20-4-6-21(7-5-20)17(23)13-2-1-8-24-13/h1-3,8-9,11H,4-7,10H2
InChIKeyKPIKBFBKETUIGC-UHFFFAOYSA-N
MW372.41 g/mol
LogP1.65
Rot. Bonds4

About 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyethanone

1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyethanone (PubChem CID 2493360) has the molecular formula C17H16N4O4S and a molecular weight of 372.41 g/mol. Its IUPAC name is 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyethanone.

Molecular Properties

Compound Name1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyethanone
PubChem CID2493360
Molecular FormulaC17H16N4O4S
Molecular Weight372.41 g/mol
Exact Mass372.09
IUPAC Name1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyethanone
SMILESO=C(COc1ncnc2sccc12)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C17H16N4O4S/c22-14(10-25-15-12-3-9-26-16(12)19-11-18-15)20-4-6-21(7-5-20)17(23)13-2-1-8-24-13/h1-3,8-9,11H,4-7,10H2
InChIKeyKPIKBFBKETUIGC-UHFFFAOYSA-N
XLogP1.65
TPSA88.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyethanone with MolForge

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Related Compounds

3-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]thieno[2,3-d]pyrimidin-4-one
CID 55486391
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(2-hydroxyphenoxy)ethanone
CID 2360096
[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] thiophene-2-carboxylate
CID 2355144
1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-thieno[2,3-d]pyrimidin-4-yloxyethanone
CID 84602146
2-[4-(4-bromophenyl)phenoxy]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 17471869
1-[(2S)-2-methylpiperidin-1-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyethanone
CID 2705181
1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyethanone
CID 2079516
N-[4-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethoxy]phenyl]acetamide
CID 91937739
[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
CID 2348009
[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-hydroxybenzoate
CID 2388350
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(1,3-thiazol-4-yl)ethanone
CID 110854688
2-[(4-amino-1,3,5-triazin-2-yl)sulfanyl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 23942183

Frequently Asked Questions

What is the IUPAC name of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyethanone?
The IUPAC name of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyethanone (CID 2493360) is 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyethanone.
What is the SMILES notation for 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyethanone?
The canonical SMILES for 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyethanone is O=C(COc1ncnc2sccc12)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyethanone?
The InChIKey is KPIKBFBKETUIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4S/c22-14(10-25-15-12-3-9-26-16(12)19-11-18-15)20-4-6-21(7-5-20)17(23)13-2-1-8-24-13/h1-3,8-9,11H,4-7,10H2.
What are the key properties of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyethanone?
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyethanone has a molecular weight of 372.41 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyethanone is sourced from PubChem (CID 2493360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).