2-[3-(2-methoxyethyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetic acid

C11H12N2O4S2 — CID 43525841

IUPAC2-[3-(2-methoxyethyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetic acid
SMILESCOCCn1c(SCC(=O)O)nc2sccc2c1=O
InChIInChI=1S/C11H12N2O4S2/c1-17-4-3-13-10(16)7-2-5-18-9(7)12-11(13)19-6-8(14)15/h2,5H,3-4,6H2,1H3,(H,14,15)
InChIKeyXBDDPSFVKRCHFQ-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.28
Rot. Bonds6

About 2-[3-(2-methoxyethyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetic acid

2-[3-(2-methoxyethyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetic acid (PubChem CID 43525841) has the molecular formula C11H12N2O4S2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-[3-(2-methoxyethyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[3-(2-methoxyethyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetic acid
PubChem CID43525841
Molecular FormulaC11H12N2O4S2
Molecular Weight300.36 g/mol
Exact Mass300.02
IUPAC Name2-[3-(2-methoxyethyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetic acid
SMILESCOCCn1c(SCC(=O)O)nc2sccc2c1=O
InChIInChI=1S/C11H12N2O4S2/c1-17-4-3-13-10(16)7-2-5-18-9(7)12-11(13)19-6-8(14)15/h2,5H,3-4,6H2,1H3,(H,14,15)
InChIKeyXBDDPSFVKRCHFQ-UHFFFAOYSA-N
XLogP1.28
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-(cyclopropylmethyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetic acid
CID 43525520
2-(3-cyclopropyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetic acid
CID 43525768
2-[4-oxo-3-(oxolan-3-ylmethyl)thieno[2,3-d]pyrimidin-2-yl]sulfanylacetic acid
CID 62823115
2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 35772690
2-methylsulfanyl-3-propylthieno[2,3-d]pyrimidin-4-one
CID 18434022
N'-[2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]benzohydrazide
CID 2610566
propan-2-yl 2-(4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetate
CID 102603041
2-[4-[[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide
CID 43071635
ethyl 2-(N-[2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]anilino)acetate
CID 3173058
2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 2610667
N,N-diethyl-2-(4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 78764090
2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one
CID 130188489

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxyethyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetic acid?
The IUPAC name of 2-[3-(2-methoxyethyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetic acid (CID 43525841) is 2-[3-(2-methoxyethyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetic acid.
What is the SMILES notation for 2-[3-(2-methoxyethyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetic acid?
The canonical SMILES for 2-[3-(2-methoxyethyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetic acid is COCCn1c(SCC(=O)O)nc2sccc2c1=O.
What is the InChIKey of 2-[3-(2-methoxyethyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetic acid?
The InChIKey is XBDDPSFVKRCHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4S2/c1-17-4-3-13-10(16)7-2-5-18-9(7)12-11(13)19-6-8(14)15/h2,5H,3-4,6H2,1H3,(H,14,15).
What are the key properties of 2-[3-(2-methoxyethyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetic acid?
2-[3-(2-methoxyethyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetic acid has a molecular weight of 300.36 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxyethyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetic acid is sourced from PubChem (CID 43525841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).