2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetate

C11H11N2O3S2- — CID 6955930

IUPAC2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetate
SMILESCc1sc2nc(SCC(=O)[O-])n(C)c(=O)c2c1C
InChIInChI=1S/C11H12N2O3S2/c1-5-6(2)18-9-8(5)10(16)13(3)11(12-9)17-4-7(14)15/h4H2,1-3H3,(H,14,15)/p-1
InChIKeyNMWYXWJETYBZRK-UHFFFAOYSA-M
MW283.35 g/mol
LogP0.45
Rot. Bonds3

About 2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetate

2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetate (PubChem CID 6955930) has the molecular formula C11H11N2O3S2- and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetate.

Molecular Properties

Compound Name2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetate
PubChem CID6955930
Molecular FormulaC11H11N2O3S2-
Molecular Weight283.35 g/mol
Exact Mass283.02
IUPAC Name2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetate
SMILESCc1sc2nc(SCC(=O)[O-])n(C)c(=O)c2c1C
InChIInChI=1S/C11H12N2O3S2/c1-5-6(2)18-9-8(5)10(16)13(3)11(12-9)17-4-7(14)15/h4H2,1-3H3,(H,14,15)/p-1
InChIKeyNMWYXWJETYBZRK-UHFFFAOYSA-M
XLogP0.45
TPSA75.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methylbutan-2-yl)-2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 37058954
N-methyl-N-phenyl-2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 2642310
N-[(1R,2S)-2-methylcyclohexyl]-2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 2685496
2-[(11-methyl-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetate
CID 7119501
3,5,6-trimethyl-2-[(2-methylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one
CID 937061
N-[(3,4-dimethylphenyl)carbamoyl]-2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 31802109
N-(3-methylsulfanylphenyl)-2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 31673599
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 46821795
2-[[2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 29458876
N-(4-phenylmethoxyphenyl)-2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 1132350
2-(5,6-dimethyl-2-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate
CID 7130423
N-benzyl-2-[[2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]benzamide
CID 34931233

Frequently Asked Questions

What is the IUPAC name of 2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetate?
The IUPAC name of 2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetate (CID 6955930) is 2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetate.
What is the SMILES notation for 2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetate?
The canonical SMILES for 2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetate is Cc1sc2nc(SCC(=O)[O-])n(C)c(=O)c2c1C.
What is the InChIKey of 2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetate?
The InChIKey is NMWYXWJETYBZRK-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H12N2O3S2/c1-5-6(2)18-9-8(5)10(16)13(3)11(12-9)17-4-7(14)15/h4H2,1-3H3,(H,14,15)/p-1.
What are the key properties of 2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetate?
2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetate has a molecular weight of 283.35 g/mol, XLogP of 0.45, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetate is sourced from PubChem (CID 6955930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).