3-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylpropanoic acid

C10H10N2O2S2 — CID 102686145

IUPAC3-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylpropanoic acid
SMILESCc1csc2c(SCCC(=O)O)ncnc12
InChIInChI=1S/C10H10N2O2S2/c1-6-4-16-9-8(6)11-5-12-10(9)15-3-2-7(13)14/h4-5H,2-3H2,1H3,(H,13,14)
InChIKeyJHGAXCBQKNFNRV-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.57
Rot. Bonds4

About 3-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylpropanoic acid

3-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylpropanoic acid (PubChem CID 102686145) has the molecular formula C10H10N2O2S2 and a molecular weight of 254.34 g/mol. Its IUPAC name is 3-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylpropanoic acid.

Molecular Properties

Compound Name3-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylpropanoic acid
PubChem CID102686145
Molecular FormulaC10H10N2O2S2
Molecular Weight254.34 g/mol
Exact Mass254.02
IUPAC Name3-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylpropanoic acid
SMILESCc1csc2c(SCCC(=O)O)ncnc12
InChIInChI=1S/C10H10N2O2S2/c1-6-4-16-9-8(6)11-5-12-10(9)15-3-2-7(13)14/h4-5H,2-3H2,1H3,(H,13,14)
InChIKeyJHGAXCBQKNFNRV-UHFFFAOYSA-N
XLogP2.57
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylpropanoic acid?
The IUPAC name of 3-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylpropanoic acid (CID 102686145) is 3-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylpropanoic acid.
What is the SMILES notation for 3-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylpropanoic acid?
The canonical SMILES for 3-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylpropanoic acid is Cc1csc2c(SCCC(=O)O)ncnc12.
What is the InChIKey of 3-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylpropanoic acid?
The InChIKey is JHGAXCBQKNFNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S2/c1-6-4-16-9-8(6)11-5-12-10(9)15-3-2-7(13)14/h4-5H,2-3H2,1H3,(H,13,14).
What are the key properties of 3-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylpropanoic acid?
3-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylpropanoic acid has a molecular weight of 254.34 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylpropanoic acid is sourced from PubChem (CID 102686145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).