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

C12H12N4OS2 — CID 34246658

IUPACN-(2-cyanoethyl)-N-methyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
SMILESCN(CCC#N)C(=O)CSc1ncnc2ccsc12
InChIInChI=1S/C12H12N4OS2/c1-16(5-2-4-13)10(17)7-19-12-11-9(3-6-18-11)14-8-15-12/h3,6,8H,2,5,7H2,1H3
InChIKeyJKXGUWHQNHFRGI-UHFFFAOYSA-N
MW292.39 g/mol
LogP2.16
Rot. Bonds5

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

N-(2-cyanoethyl)-N-methyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide (PubChem CID 34246658) has the molecular formula C12H12N4OS2 and a molecular weight of 292.39 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-methyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-methyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
PubChem CID34246658
Molecular FormulaC12H12N4OS2
Molecular Weight292.39 g/mol
Exact Mass292.05
IUPAC NameN-(2-cyanoethyl)-N-methyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide
SMILESCN(CCC#N)C(=O)CSc1ncnc2ccsc12
InChIInChI=1S/C12H12N4OS2/c1-16(5-2-4-13)10(17)7-19-12-11-9(3-6-18-11)14-8-15-12/h3,6,8H,2,5,7H2,1H3
InChIKeyJKXGUWHQNHFRGI-UHFFFAOYSA-N
XLogP2.16
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-methyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide?
The IUPAC name of N-(2-cyanoethyl)-N-methyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide (CID 34246658) is N-(2-cyanoethyl)-N-methyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-methyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide?
The canonical SMILES for N-(2-cyanoethyl)-N-methyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide is CN(CCC#N)C(=O)CSc1ncnc2ccsc12.
What is the InChIKey of N-(2-cyanoethyl)-N-methyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide?
The InChIKey is JKXGUWHQNHFRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4OS2/c1-16(5-2-4-13)10(17)7-19-12-11-9(3-6-18-11)14-8-15-12/h3,6,8H,2,5,7H2,1H3.
What are the key properties of N-(2-cyanoethyl)-N-methyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide?
N-(2-cyanoethyl)-N-methyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide has a molecular weight of 292.39 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-methyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetamide is sourced from PubChem (CID 34246658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).