N-(2-methoxyethyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide

C11H13N3O2S2 — CID 2555923

IUPACN-(2-methoxyethyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
SMILESCOCCNC(=O)CSc1ncnc2sccc12
InChIInChI=1S/C11H13N3O2S2/c1-16-4-3-12-9(15)6-18-11-8-2-5-17-10(8)13-7-14-11/h2,5,7H,3-4,6H2,1H3,(H,12,15)
InChIKeyXHCXQYDKNPJJKZ-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.55
Rot. Bonds6

About N-(2-methoxyethyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide

N-(2-methoxyethyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide (PubChem CID 2555923) has the molecular formula C11H13N3O2S2 and a molecular weight of 283.38 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
PubChem CID2555923
Molecular FormulaC11H13N3O2S2
Molecular Weight283.38 g/mol
Exact Mass283.04
IUPAC NameN-(2-methoxyethyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
SMILESCOCCNC(=O)CSc1ncnc2sccc12
InChIInChI=1S/C11H13N3O2S2/c1-16-4-3-12-9(15)6-18-11-8-2-5-17-10(8)13-7-14-11/h2,5,7H,3-4,6H2,1H3,(H,12,15)
InChIKeyXHCXQYDKNPJJKZ-UHFFFAOYSA-N
XLogP1.55
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopropylmethyl)-N-propyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
CID 2373458
N-butan-2-yl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
CID 3385586
N-(1,1-dioxothiolan-3-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
CID 4044843
1-(2-Thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)pyrrolidin-2-one
CID 7889279
1-(3,5-Dimethylpiperidin-1-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone
CID 16307075
N-cyclohexyl-N-methyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
CID 3690052
N-butan-2-yl-N-(1,1-dioxothiolan-3-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
CID 16307215
1-(Piperidin-1-yl)-2-(thieno[2,3-d]pyrimidin-4-ylsulfanyl)ethanone
CID 4621619
1-[3-(Thieno[2,3-d]pyrimidin-4-ylamino)propyl]pyrrolidin-2-one
CID 5161259
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
CID 16307073
N-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
CID 16307074
N-ethyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
CID 2535833

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide?
The IUPAC name of N-(2-methoxyethyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide (CID 2555923) is N-(2-methoxyethyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide is COCCNC(=O)CSc1ncnc2sccc12.
What is the InChIKey of N-(2-methoxyethyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide?
The InChIKey is XHCXQYDKNPJJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S2/c1-16-4-3-12-9(15)6-18-11-8-2-5-17-10(8)13-7-14-11/h2,5,7H,3-4,6H2,1H3,(H,12,15).
What are the key properties of N-(2-methoxyethyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide?
N-(2-methoxyethyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide has a molecular weight of 283.38 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide is sourced from PubChem (CID 2555923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).