N-ethyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide

C10H11N3OS2 — CID 2535833

IUPACN-ethyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
SMILESCCNC(=O)CSc1ncnc2sccc12
InChIInChI=1S/C10H11N3OS2/c1-2-11-8(14)5-16-10-7-3-4-15-9(7)12-6-13-10/h3-4,6H,2,5H2,1H3,(H,11,14)
InChIKeyVTAXDORMKPYIQU-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.92
Rot. Bonds4

About N-ethyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide

N-ethyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide (PubChem CID 2535833) has the molecular formula C10H11N3OS2 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-ethyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-ethyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
PubChem CID2535833
Molecular FormulaC10H11N3OS2
Molecular Weight253.35 g/mol
Exact Mass253.03
IUPAC NameN-ethyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
SMILESCCNC(=O)CSc1ncnc2sccc12
InChIInChI=1S/C10H11N3OS2/c1-2-11-8(14)5-16-10-7-3-4-15-9(7)12-6-13-10/h3-4,6H,2,5H2,1H3,(H,11,14)
InChIKeyVTAXDORMKPYIQU-UHFFFAOYSA-N
XLogP1.92
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-{Thieno[2,3-d]pyrimidin-4-yl}piperazine
CID 16768198
4-Aminothieno(2,3-d)pyrimidine
CID 4269486
2-(Thieno(2,3-d)pyrimidin-4-ylsulfanyl)acetic acid
CID 2095458
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-cyclopentyl-2-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide
CID 16316041
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

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide?
The IUPAC name of N-ethyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide (CID 2535833) is N-ethyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide.
What is the SMILES notation for N-ethyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide?
The canonical SMILES for N-ethyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide is CCNC(=O)CSc1ncnc2sccc12.
What is the InChIKey of N-ethyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide?
The InChIKey is VTAXDORMKPYIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS2/c1-2-11-8(14)5-16-10-7-3-4-15-9(7)12-6-13-10/h3-4,6H,2,5H2,1H3,(H,11,14).
What are the key properties of N-ethyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide?
N-ethyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide has a molecular weight of 253.35 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide is sourced from PubChem (CID 2535833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).