2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N,N-bis(prop-2-enyl)acetamide

C14H16N4OS2 — CID 51264157

IUPAC2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)CSc1nc(N)c2ccsc2n1
InChIInChI=1S/C14H16N4OS2/c1-3-6-18(7-4-2)11(19)9-21-14-16-12(15)10-5-8-20-13(10)17-14/h3-5,8H,1-2,6-7,9H2,(H2,15,16,17)
InChIKeyDGGJVQNLCVKIQD-UHFFFAOYSA-N
MW320.44 g/mol
LogP2.57
Rot. Bonds7

About 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N,N-bis(prop-2-enyl)acetamide

2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N,N-bis(prop-2-enyl)acetamide (PubChem CID 51264157) has the molecular formula C14H16N4OS2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N,N-bis(prop-2-enyl)acetamide.

Molecular Properties

Compound Name2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N,N-bis(prop-2-enyl)acetamide
PubChem CID51264157
Molecular FormulaC14H16N4OS2
Molecular Weight320.44 g/mol
Exact Mass320.08
IUPAC Name2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)CSc1nc(N)c2ccsc2n1
InChIInChI=1S/C14H16N4OS2/c1-3-6-18(7-4-2)11(19)9-21-14-16-12(15)10-5-8-20-13(10)17-14/h3-5,8H,1-2,6-7,9H2,(H2,15,16,17)
InChIKeyDGGJVQNLCVKIQD-UHFFFAOYSA-N
XLogP2.57
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N,N-bis(prop-2-enyl)acetamide?
The IUPAC name of 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N,N-bis(prop-2-enyl)acetamide (CID 51264157) is 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N,N-bis(prop-2-enyl)acetamide.
What is the SMILES notation for 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N,N-bis(prop-2-enyl)acetamide?
The canonical SMILES for 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N,N-bis(prop-2-enyl)acetamide is C=CCN(CC=C)C(=O)CSc1nc(N)c2ccsc2n1.
What is the InChIKey of 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N,N-bis(prop-2-enyl)acetamide?
The InChIKey is DGGJVQNLCVKIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS2/c1-3-6-18(7-4-2)11(19)9-21-14-16-12(15)10-5-8-20-13(10)17-14/h3-5,8H,1-2,6-7,9H2,(H2,15,16,17).
What are the key properties of 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N,N-bis(prop-2-enyl)acetamide?
2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N,N-bis(prop-2-enyl)acetamide has a molecular weight of 320.44 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N,N-bis(prop-2-enyl)acetamide is sourced from PubChem (CID 51264157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).