2-(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid

C10H10N2O2S2 — CID 83814254

IUPAC2-(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid
SMILESCc1nc(SCC(=O)O)c2c(C)csc2n1
InChIInChI=1S/C10H10N2O2S2/c1-5-3-15-9-8(5)10(12-6(2)11-9)16-4-7(13)14/h3H,4H2,1-2H3,(H,13,14)
InChIKeyWXGQFOSVJUFLRZ-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.48
Rot. Bonds3

About 2-(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid

2-(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid (PubChem CID 83814254) has the molecular formula C10H10N2O2S2 and a molecular weight of 254.34 g/mol. Its IUPAC name is 2-(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid.

Molecular Properties

Compound Name2-(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid
PubChem CID83814254
Molecular FormulaC10H10N2O2S2
Molecular Weight254.34 g/mol
Exact Mass254.02
IUPAC Name2-(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid
SMILESCc1nc(SCC(=O)O)c2c(C)csc2n1
InChIInChI=1S/C10H10N2O2S2/c1-5-3-15-9-8(5)10(12-6(2)11-9)16-4-7(13)14/h3H,4H2,1-2H3,(H,13,14)
InChIKeyWXGQFOSVJUFLRZ-UHFFFAOYSA-N
XLogP2.48
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetonitrile
CID 83814255
2-[2-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylethanethioamide
CID 39159407
3-[(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-2-methylpropanoic acid
CID 122064785
2,5-dimethyl-4-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]thieno[2,3-d]pyrimidine
CID 133493043
2-[3-(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)indol-1-yl]acetic acid
CID 66651811
2-[(3,5-dimethyl-2-pyridinyl)sulfanyl]acetic acid
CID 131052499
2-(3,6-dimethylpyrazin-2-yl)sulfanylacetic acid
CID 60631564
(2R)-1-(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 122051751
2-[2-methyl-6-[3-(propan-2-ylamino)prop-1-ynyl]thieno[2,3-d]pyrimidin-4-yl]sulfanylacetic acid
CID 176578096
3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-2-carboxylic acid
CID 82128077
N-ethyl-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 130667435
N-(2-cyanoethyl)-N-methyl-2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 2509399

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid?
The IUPAC name of 2-(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid (CID 83814254) is 2-(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid.
What is the SMILES notation for 2-(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid?
The canonical SMILES for 2-(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid is Cc1nc(SCC(=O)O)c2c(C)csc2n1.
What is the InChIKey of 2-(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid?
The InChIKey is WXGQFOSVJUFLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S2/c1-5-3-15-9-8(5)10(12-6(2)11-9)16-4-7(13)14/h3H,4H2,1-2H3,(H,13,14).
What are the key properties of 2-(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid?
2-(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid has a molecular weight of 254.34 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetic acid is sourced from PubChem (CID 83814254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).