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

C12H15N3OS2 — CID 2533388

IUPACN,N-diethyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
SMILESCCN(CC)C(=O)CSc1ncnc2sccc12
InChIInChI=1S/C12H15N3OS2/c1-3-15(4-2)10(16)7-18-12-9-5-6-17-11(9)13-8-14-12/h5-6,8H,3-4,7H2,1-2H3
InChIKeyHBZUOZRSQVTVAF-UHFFFAOYSA-N
MW281.41 g/mol
LogP2.65
Rot. Bonds5

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

N,N-diethyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide (PubChem CID 2533388) has the molecular formula C12H15N3OS2 and a molecular weight of 281.41 g/mol. Its IUPAC name is N,N-diethyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN,N-diethyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
PubChem CID2533388
Molecular FormulaC12H15N3OS2
Molecular Weight281.41 g/mol
Exact Mass281.07
IUPAC NameN,N-diethyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
SMILESCCN(CC)C(=O)CSc1ncnc2sccc12
InChIInChI=1S/C12H15N3OS2/c1-3-15(4-2)10(16)7-18-12-9-5-6-17-11(9)13-8-14-12/h5-6,8H,3-4,7H2,1-2H3
InChIKeyHBZUOZRSQVTVAF-UHFFFAOYSA-N
XLogP2.65
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.41
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
[(5-Methylthieno[2,3-d]pyrimidin-4-yl)thio]acetic acid
CID 83814252
2-Methyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine
CID 2139595
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,N-diethyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide?
The IUPAC name of N,N-diethyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide (CID 2533388) is N,N-diethyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide.
What is the SMILES notation for N,N-diethyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide?
The canonical SMILES for N,N-diethyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide is CCN(CC)C(=O)CSc1ncnc2sccc12.
What is the InChIKey of N,N-diethyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide?
The InChIKey is HBZUOZRSQVTVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS2/c1-3-15(4-2)10(16)7-18-12-9-5-6-17-11(9)13-8-14-12/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of N,N-diethyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide?
N,N-diethyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide has a molecular weight of 281.41 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide is sourced from PubChem (CID 2533388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).