2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide

C9H9N3O2S2 — CID 17412738

IUPAC2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide
SMILESCn1c(SCC(N)=O)nc2ccsc2c1=O
InChIInChI=1S/C9H9N3O2S2/c1-12-8(14)7-5(2-3-15-7)11-9(12)16-4-6(10)13/h2-3H,4H2,1H3,(H2,10,13)
InChIKeyMCVAZBSGELRSRP-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.57
Rot. Bonds3

About 2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide

2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide (PubChem CID 17412738) has the molecular formula C9H9N3O2S2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound Name2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide
PubChem CID17412738
Molecular FormulaC9H9N3O2S2
Molecular Weight255.32 g/mol
Exact Mass255.01
IUPAC Name2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide
SMILESCn1c(SCC(N)=O)nc2ccsc2c1=O
InChIInChI=1S/C9H9N3O2S2/c1-12-8(14)7-5(2-3-15-7)11-9(12)16-4-6(10)13/h2-3H,4H2,1H3,(H2,10,13)
InChIKeyMCVAZBSGELRSRP-UHFFFAOYSA-N
XLogP0.57
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of 2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide (CID 17412738) is 2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for 2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for 2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide is Cn1c(SCC(N)=O)nc2ccsc2c1=O.
What is the InChIKey of 2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide?
The InChIKey is MCVAZBSGELRSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2S2/c1-12-8(14)7-5(2-3-15-7)11-9(12)16-4-6(10)13/h2-3H,4H2,1H3,(H2,10,13).
What are the key properties of 2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide?
2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide has a molecular weight of 255.32 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 17412738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).