2-thieno[2,3-d]pyrimidin-2-ylacetic acid

C8H6N2O2S — CID 82401350

IUPAC2-thieno[2,3-d]pyrimidin-2-ylacetic acid
SMILESO=C(O)Cc1ncc2ccsc2n1
InChIInChI=1S/C8H6N2O2S/c11-7(12)3-6-9-4-5-1-2-13-8(5)10-6/h1-2,4H,3H2,(H,11,12)
InChIKeyMMCBAZOENKXKEP-UHFFFAOYSA-N
MW194.22 g/mol
LogP1.32
Rot. Bonds2

About 2-thieno[2,3-d]pyrimidin-2-ylacetic acid

2-thieno[2,3-d]pyrimidin-2-ylacetic acid (PubChem CID 82401350) has the molecular formula C8H6N2O2S and a molecular weight of 194.22 g/mol. Its IUPAC name is 2-thieno[2,3-d]pyrimidin-2-ylacetic acid.

Molecular Properties

Compound Name2-thieno[2,3-d]pyrimidin-2-ylacetic acid
PubChem CID82401350
Molecular FormulaC8H6N2O2S
Molecular Weight194.22 g/mol
Exact Mass194.01
IUPAC Name2-thieno[2,3-d]pyrimidin-2-ylacetic acid
SMILESO=C(O)Cc1ncc2ccsc2n1
InChIInChI=1S/C8H6N2O2S/c11-7(12)3-6-9-4-5-1-2-13-8(5)10-6/h1-2,4H,3H2,(H,11,12)
InChIKeyMMCBAZOENKXKEP-UHFFFAOYSA-N
XLogP1.32
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-thieno[2,3-d]pyrimidin-2-ylacetic acid?
The IUPAC name of 2-thieno[2,3-d]pyrimidin-2-ylacetic acid (CID 82401350) is 2-thieno[2,3-d]pyrimidin-2-ylacetic acid.
What is the SMILES notation for 2-thieno[2,3-d]pyrimidin-2-ylacetic acid?
The canonical SMILES for 2-thieno[2,3-d]pyrimidin-2-ylacetic acid is O=C(O)Cc1ncc2ccsc2n1.
What is the InChIKey of 2-thieno[2,3-d]pyrimidin-2-ylacetic acid?
The InChIKey is MMCBAZOENKXKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2S/c11-7(12)3-6-9-4-5-1-2-13-8(5)10-6/h1-2,4H,3H2,(H,11,12).
What are the key properties of 2-thieno[2,3-d]pyrimidin-2-ylacetic acid?
2-thieno[2,3-d]pyrimidin-2-ylacetic acid has a molecular weight of 194.22 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thieno[2,3-d]pyrimidin-2-ylacetic acid is sourced from PubChem (CID 82401350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).