2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-carbamoylpropanamide

C10H11N5O2S2 — CID 60699061

IUPAC2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-carbamoylpropanamide
SMILESCC(Sc1nc(N)c2ccsc2n1)C(=O)NC(N)=O
InChIInChI=1S/C10H11N5O2S2/c1-4(7(16)14-9(12)17)19-10-13-6(11)5-2-3-18-8(5)15-10/h2-4H,1H3,(H2,11,13,15)(H3,12,14,16,17)
InChIKeyQXDYFOPCJQQTGV-UHFFFAOYSA-N
MW297.37 g/mol
LogP0.95
Rot. Bonds3

About 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-carbamoylpropanamide

2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-carbamoylpropanamide (PubChem CID 60699061) has the molecular formula C10H11N5O2S2 and a molecular weight of 297.37 g/mol. Its IUPAC name is 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-carbamoylpropanamide.

Molecular Properties

Compound Name2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-carbamoylpropanamide
PubChem CID60699061
Molecular FormulaC10H11N5O2S2
Molecular Weight297.37 g/mol
Exact Mass297.04
IUPAC Name2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-carbamoylpropanamide
SMILESCC(Sc1nc(N)c2ccsc2n1)C(=O)NC(N)=O
InChIInChI=1S/C10H11N5O2S2/c1-4(7(16)14-9(12)17)19-10-13-6(11)5-2-3-18-8(5)15-10/h2-4H,1H3,(H2,11,13,15)(H3,12,14,16,17)
InChIKeyQXDYFOPCJQQTGV-UHFFFAOYSA-N
XLogP0.95
TPSA123.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-carbamoylpropanamide?
The IUPAC name of 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-carbamoylpropanamide (CID 60699061) is 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-carbamoylpropanamide.
What is the SMILES notation for 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-carbamoylpropanamide?
The canonical SMILES for 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-carbamoylpropanamide is CC(Sc1nc(N)c2ccsc2n1)C(=O)NC(N)=O.
What is the InChIKey of 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-carbamoylpropanamide?
The InChIKey is QXDYFOPCJQQTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2S2/c1-4(7(16)14-9(12)17)19-10-13-6(11)5-2-3-18-8(5)15-10/h2-4H,1H3,(H2,11,13,15)(H3,12,14,16,17).
What are the key properties of 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-carbamoylpropanamide?
2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-carbamoylpropanamide has a molecular weight of 297.37 g/mol, XLogP of 0.95, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-carbamoylpropanamide is sourced from PubChem (CID 60699061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).