propanediamide;thieno[3,2-d]pyrimidine

C9H10N4O2S — CID 67279021

IUPACpropanediamide;thieno[3,2-d]pyrimidine
SMILESNC(=O)CC(N)=O.c1ncc2sccc2n1
InChIInChI=1S/C6H4N2S.C3H6N2O2/c1-2-9-6-3-7-4-8-5(1)6;4-2(6)1-3(5)7/h1-4H;1H2,(H2,4,6)(H2,5,7)
InChIKeyQXBHNNGOFAKSMB-UHFFFAOYSA-N
MW238.27 g/mol
LogP0.04
Rot. Bonds2

About propanediamide;thieno[3,2-d]pyrimidine

propanediamide;thieno[3,2-d]pyrimidine (PubChem CID 67279021) has the molecular formula C9H10N4O2S and a molecular weight of 238.27 g/mol. Its IUPAC name is propanediamide;thieno[3,2-d]pyrimidine.

Molecular Properties

Compound Namepropanediamide;thieno[3,2-d]pyrimidine
PubChem CID67279021
Molecular FormulaC9H10N4O2S
Molecular Weight238.27 g/mol
Exact Mass238.05
IUPAC Namepropanediamide;thieno[3,2-d]pyrimidine
SMILESNC(=O)CC(N)=O.c1ncc2sccc2n1
InChIInChI=1S/C6H4N2S.C3H6N2O2/c1-2-9-6-3-7-4-8-5(1)6;4-2(6)1-3(5)7/h1-4H;1H2,(H2,4,6)(H2,5,7)
InChIKeyQXBHNNGOFAKSMB-UHFFFAOYSA-N
XLogP0.04
TPSA111.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of propanediamide;thieno[3,2-d]pyrimidine?
The IUPAC name of propanediamide;thieno[3,2-d]pyrimidine (CID 67279021) is propanediamide;thieno[3,2-d]pyrimidine.
What is the SMILES notation for propanediamide;thieno[3,2-d]pyrimidine?
The canonical SMILES for propanediamide;thieno[3,2-d]pyrimidine is NC(=O)CC(N)=O.c1ncc2sccc2n1.
What is the InChIKey of propanediamide;thieno[3,2-d]pyrimidine?
The InChIKey is QXBHNNGOFAKSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2S.C3H6N2O2/c1-2-9-6-3-7-4-8-5(1)6;4-2(6)1-3(5)7/h1-4H;1H2,(H2,4,6)(H2,5,7).
What are the key properties of propanediamide;thieno[3,2-d]pyrimidine?
propanediamide;thieno[3,2-d]pyrimidine has a molecular weight of 238.27 g/mol, XLogP of 0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propanediamide;thieno[3,2-d]pyrimidine is sourced from PubChem (CID 67279021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).