N-tert-butyl-2-[methyl-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)amino]acetamide

C15H20N4O2S2 — CID 34254461

IUPACN-tert-butyl-2-[methyl-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)amino]acetamide
SMILESCN(CC(=O)NC(C)(C)C)C(=O)CSc1ncnc2ccsc12
InChIInChI=1S/C15H20N4O2S2/c1-15(2,3)18-11(20)7-19(4)12(21)8-23-14-13-10(5-6-22-13)16-9-17-14/h5-6,9H,7-8H2,1-4H3,(H,18,20)
InChIKeyJGKKGKCOHWADOO-UHFFFAOYSA-N
MW352.49 g/mol
LogP2.16
Rot. Bonds5

About N-tert-butyl-2-[methyl-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)amino]acetamide

N-tert-butyl-2-[methyl-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)amino]acetamide (PubChem CID 34254461) has the molecular formula C15H20N4O2S2 and a molecular weight of 352.49 g/mol. Its IUPAC name is N-tert-butyl-2-[methyl-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[methyl-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)amino]acetamide
PubChem CID34254461
Molecular FormulaC15H20N4O2S2
Molecular Weight352.49 g/mol
Exact Mass352.10
IUPAC NameN-tert-butyl-2-[methyl-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)amino]acetamide
SMILESCN(CC(=O)NC(C)(C)C)C(=O)CSc1ncnc2ccsc12
InChIInChI=1S/C15H20N4O2S2/c1-15(2,3)18-11(20)7-19(4)12(21)8-23-14-13-10(5-6-22-13)16-9-17-14/h5-6,9H,7-8H2,1-4H3,(H,18,20)
InChIKeyJGKKGKCOHWADOO-UHFFFAOYSA-N
XLogP2.16
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.49
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[methyl-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)amino]acetamide?
The IUPAC name of N-tert-butyl-2-[methyl-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)amino]acetamide (CID 34254461) is N-tert-butyl-2-[methyl-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[methyl-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[methyl-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)amino]acetamide is CN(CC(=O)NC(C)(C)C)C(=O)CSc1ncnc2ccsc12.
What is the InChIKey of N-tert-butyl-2-[methyl-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)amino]acetamide?
The InChIKey is JGKKGKCOHWADOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S2/c1-15(2,3)18-11(20)7-19(4)12(21)8-23-14-13-10(5-6-22-13)16-9-17-14/h5-6,9H,7-8H2,1-4H3,(H,18,20).
What are the key properties of N-tert-butyl-2-[methyl-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)amino]acetamide?
N-tert-butyl-2-[methyl-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)amino]acetamide has a molecular weight of 352.49 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[methyl-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)amino]acetamide is sourced from PubChem (CID 34254461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).