N-(propan-2-ylcarbamoyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide

C12H14N4O3S — CID 2614027

IUPACN-(propan-2-ylcarbamoyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
SMILESCC(C)NC(=O)NC(=O)COc1ncnc2sccc12
InChIInChI=1S/C12H14N4O3S/c1-7(2)15-12(18)16-9(17)5-19-10-8-3-4-20-11(8)14-6-13-10/h3-4,6-7H,5H2,1-2H3,(H2,15,16,17,18)
InChIKeyGCSOZHYAFAZVKU-UHFFFAOYSA-N
MW294.34 g/mol
LogP1.30
Rot. Bonds4

About N-(propan-2-ylcarbamoyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide

N-(propan-2-ylcarbamoyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide (PubChem CID 2614027) has the molecular formula C12H14N4O3S and a molecular weight of 294.34 g/mol. Its IUPAC name is N-(propan-2-ylcarbamoyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide.

Molecular Properties

Compound NameN-(propan-2-ylcarbamoyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
PubChem CID2614027
Molecular FormulaC12H14N4O3S
Molecular Weight294.34 g/mol
Exact Mass294.08
IUPAC NameN-(propan-2-ylcarbamoyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
SMILESCC(C)NC(=O)NC(=O)COc1ncnc2sccc12
InChIInChI=1S/C12H14N4O3S/c1-7(2)15-12(18)16-9(17)5-19-10-8-3-4-20-11(8)14-6-13-10/h3-4,6-7H,5H2,1-2H3,(H2,15,16,17,18)
InChIKeyGCSOZHYAFAZVKU-UHFFFAOYSA-N
XLogP1.30
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(propan-2-ylcarbamoyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide?
The IUPAC name of N-(propan-2-ylcarbamoyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide (CID 2614027) is N-(propan-2-ylcarbamoyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide.
What is the SMILES notation for N-(propan-2-ylcarbamoyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide?
The canonical SMILES for N-(propan-2-ylcarbamoyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide is CC(C)NC(=O)NC(=O)COc1ncnc2sccc12.
What is the InChIKey of N-(propan-2-ylcarbamoyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide?
The InChIKey is GCSOZHYAFAZVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S/c1-7(2)15-12(18)16-9(17)5-19-10-8-3-4-20-11(8)14-6-13-10/h3-4,6-7H,5H2,1-2H3,(H2,15,16,17,18).
What are the key properties of N-(propan-2-ylcarbamoyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide?
N-(propan-2-ylcarbamoyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide has a molecular weight of 294.34 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(propan-2-ylcarbamoyl)-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide is sourced from PubChem (CID 2614027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).