2-(3-oxo-1-thieno[3,2-d]pyrimidin-4-ylpiperazin-2-yl)acetic acid

C12H12N4O3S — CID 62032967

IUPAC2-(3-oxo-1-thieno[3,2-d]pyrimidin-4-ylpiperazin-2-yl)acetic acid
SMILESO=C(O)CC1C(=O)NCCN1c1ncnc2ccsc12
InChIInChI=1S/C12H12N4O3S/c17-9(18)5-8-12(19)13-2-3-16(8)11-10-7(1-4-20-10)14-6-15-11/h1,4,6,8H,2-3,5H2,(H,13,19)(H,17,18)
InChIKeyIFXSREUNTCSVFB-UHFFFAOYSA-N
MW292.32 g/mol
LogP0.47
Rot. Bonds3

About 2-(3-oxo-1-thieno[3,2-d]pyrimidin-4-ylpiperazin-2-yl)acetic acid

2-(3-oxo-1-thieno[3,2-d]pyrimidin-4-ylpiperazin-2-yl)acetic acid (PubChem CID 62032967) has the molecular formula C12H12N4O3S and a molecular weight of 292.32 g/mol. Its IUPAC name is 2-(3-oxo-1-thieno[3,2-d]pyrimidin-4-ylpiperazin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(3-oxo-1-thieno[3,2-d]pyrimidin-4-ylpiperazin-2-yl)acetic acid
PubChem CID62032967
Molecular FormulaC12H12N4O3S
Molecular Weight292.32 g/mol
Exact Mass292.06
IUPAC Name2-(3-oxo-1-thieno[3,2-d]pyrimidin-4-ylpiperazin-2-yl)acetic acid
SMILESO=C(O)CC1C(=O)NCCN1c1ncnc2ccsc12
InChIInChI=1S/C12H12N4O3S/c17-9(18)5-8-12(19)13-2-3-16(8)11-10-7(1-4-20-10)14-6-15-11/h1,4,6,8H,2-3,5H2,(H,13,19)(H,17,18)
InChIKeyIFXSREUNTCSVFB-UHFFFAOYSA-N
XLogP0.47
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-1-thieno[3,2-d]pyrimidin-4-ylpiperazin-2-yl)acetic acid?
The IUPAC name of 2-(3-oxo-1-thieno[3,2-d]pyrimidin-4-ylpiperazin-2-yl)acetic acid (CID 62032967) is 2-(3-oxo-1-thieno[3,2-d]pyrimidin-4-ylpiperazin-2-yl)acetic acid.
What is the SMILES notation for 2-(3-oxo-1-thieno[3,2-d]pyrimidin-4-ylpiperazin-2-yl)acetic acid?
The canonical SMILES for 2-(3-oxo-1-thieno[3,2-d]pyrimidin-4-ylpiperazin-2-yl)acetic acid is O=C(O)CC1C(=O)NCCN1c1ncnc2ccsc12.
What is the InChIKey of 2-(3-oxo-1-thieno[3,2-d]pyrimidin-4-ylpiperazin-2-yl)acetic acid?
The InChIKey is IFXSREUNTCSVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3S/c17-9(18)5-8-12(19)13-2-3-16(8)11-10-7(1-4-20-10)14-6-15-11/h1,4,6,8H,2-3,5H2,(H,13,19)(H,17,18).
What are the key properties of 2-(3-oxo-1-thieno[3,2-d]pyrimidin-4-ylpiperazin-2-yl)acetic acid?
2-(3-oxo-1-thieno[3,2-d]pyrimidin-4-ylpiperazin-2-yl)acetic acid has a molecular weight of 292.32 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-1-thieno[3,2-d]pyrimidin-4-ylpiperazin-2-yl)acetic acid is sourced from PubChem (CID 62032967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).