N-propan-2-yl-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide

C11H13N3O2S — CID 2496595

IUPACN-propan-2-yl-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
SMILESCC(C)NC(=O)COc1ncnc2sccc12
InChIInChI=1S/C11H13N3O2S/c1-7(2)14-9(15)5-16-10-8-3-4-17-11(8)13-6-12-10/h3-4,6-7H,5H2,1-2H3,(H,14,15)
InChIKeyMZEZPXBZXJPTCZ-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.59
Rot. Bonds4

About N-propan-2-yl-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide

N-propan-2-yl-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide (PubChem CID 2496595) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is N-propan-2-yl-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide.

Molecular Properties

Compound NameN-propan-2-yl-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
PubChem CID2496595
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC NameN-propan-2-yl-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide
SMILESCC(C)NC(=O)COc1ncnc2sccc12
InChIInChI=1S/C11H13N3O2S/c1-7(2)14-9(15)5-16-10-8-3-4-17-11(8)13-6-12-10/h3-4,6-7H,5H2,1-2H3,(H,14,15)
InChIKeyMZEZPXBZXJPTCZ-UHFFFAOYSA-N
XLogP1.59
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide?
The IUPAC name of N-propan-2-yl-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide (CID 2496595) is N-propan-2-yl-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide.
What is the SMILES notation for N-propan-2-yl-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide?
The canonical SMILES for N-propan-2-yl-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide is CC(C)NC(=O)COc1ncnc2sccc12.
What is the InChIKey of N-propan-2-yl-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide?
The InChIKey is MZEZPXBZXJPTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-7(2)14-9(15)5-16-10-8-3-4-17-11(8)13-6-12-10/h3-4,6-7H,5H2,1-2H3,(H,14,15).
What are the key properties of N-propan-2-yl-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide?
N-propan-2-yl-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide has a molecular weight of 251.31 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-thieno[2,3-d]pyrimidin-4-yloxyacetamide is sourced from PubChem (CID 2496595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).