2-prop-2-enyl-5-thiophen-2-ylthieno[2,3-d]pyrimidine

C13H10N2S2 — CID 90745229

IUPAC2-prop-2-enyl-5-thiophen-2-ylthieno[2,3-d]pyrimidine
SMILESC=CCc1ncc2c(-c3cccs3)csc2n1
InChIInChI=1S/C13H10N2S2/c1-2-4-12-14-7-9-10(8-17-13(9)15-12)11-5-3-6-16-11/h2-3,5-8H,1,4H2
InChIKeyOMCRLYPMFGXXKC-UHFFFAOYSA-N
MW258.37 g/mol
LogP4.15
Rot. Bonds3

About 2-prop-2-enyl-5-thiophen-2-ylthieno[2,3-d]pyrimidine

2-prop-2-enyl-5-thiophen-2-ylthieno[2,3-d]pyrimidine (PubChem CID 90745229) has the molecular formula C13H10N2S2 and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-prop-2-enyl-5-thiophen-2-ylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-prop-2-enyl-5-thiophen-2-ylthieno[2,3-d]pyrimidine
PubChem CID90745229
Molecular FormulaC13H10N2S2
Molecular Weight258.37 g/mol
Exact Mass258.03
IUPAC Name2-prop-2-enyl-5-thiophen-2-ylthieno[2,3-d]pyrimidine
SMILESC=CCc1ncc2c(-c3cccs3)csc2n1
InChIInChI=1S/C13H10N2S2/c1-2-4-12-14-7-9-10(8-17-13(9)15-12)11-5-3-6-16-11/h2-3,5-8H,1,4H2
InChIKeyOMCRLYPMFGXXKC-UHFFFAOYSA-N
XLogP4.15
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-prop-2-enyl-5-thiophen-2-ylthieno[2,3-d]pyrimidine?
The IUPAC name of 2-prop-2-enyl-5-thiophen-2-ylthieno[2,3-d]pyrimidine (CID 90745229) is 2-prop-2-enyl-5-thiophen-2-ylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 2-prop-2-enyl-5-thiophen-2-ylthieno[2,3-d]pyrimidine?
The canonical SMILES for 2-prop-2-enyl-5-thiophen-2-ylthieno[2,3-d]pyrimidine is C=CCc1ncc2c(-c3cccs3)csc2n1.
What is the InChIKey of 2-prop-2-enyl-5-thiophen-2-ylthieno[2,3-d]pyrimidine?
The InChIKey is OMCRLYPMFGXXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2S2/c1-2-4-12-14-7-9-10(8-17-13(9)15-12)11-5-3-6-16-11/h2-3,5-8H,1,4H2.
What are the key properties of 2-prop-2-enyl-5-thiophen-2-ylthieno[2,3-d]pyrimidine?
2-prop-2-enyl-5-thiophen-2-ylthieno[2,3-d]pyrimidine has a molecular weight of 258.37 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enyl-5-thiophen-2-ylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 90745229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).