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

C12H15N3OS2 — CID 3385586

IUPACN-butan-2-yl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
SMILESCCC(C)NC(=O)CSc1ncnc2sccc12
InChIInChI=1S/C12H15N3OS2/c1-3-8(2)15-10(16)6-18-12-9-4-5-17-11(9)13-7-14-12/h4-5,7-8H,3,6H2,1-2H3,(H,15,16)
InChIKeyGTEPFRJJZWRKPE-UHFFFAOYSA-N
MW281.41 g/mol
LogP2.70
Rot. Bonds5

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

N-butan-2-yl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide (PubChem CID 3385586) has the molecular formula C12H15N3OS2 and a molecular weight of 281.41 g/mol. Its IUPAC name is N-butan-2-yl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
PubChem CID3385586
Molecular FormulaC12H15N3OS2
Molecular Weight281.41 g/mol
Exact Mass281.07
IUPAC NameN-butan-2-yl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
SMILESCCC(C)NC(=O)CSc1ncnc2sccc12
InChIInChI=1S/C12H15N3OS2/c1-3-8(2)15-10(16)6-18-12-9-4-5-17-11(9)13-7-14-12/h4-5,7-8H,3,6H2,1-2H3,(H,15,16)
InChIKeyGTEPFRJJZWRKPE-UHFFFAOYSA-N
XLogP2.70
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.41
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide?
The IUPAC name of N-butan-2-yl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide (CID 3385586) is N-butan-2-yl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide.
What is the SMILES notation for N-butan-2-yl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide?
The canonical SMILES for N-butan-2-yl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide is CCC(C)NC(=O)CSc1ncnc2sccc12.
What is the InChIKey of N-butan-2-yl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide?
The InChIKey is GTEPFRJJZWRKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS2/c1-3-8(2)15-10(16)6-18-12-9-4-5-17-11(9)13-7-14-12/h4-5,7-8H,3,6H2,1-2H3,(H,15,16).
What are the key properties of N-butan-2-yl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide?
N-butan-2-yl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide has a molecular weight of 281.41 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide is sourced from PubChem (CID 3385586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).