1-thieno[2,3-d]pyrimidin-4-ylimidazole-4,5-dicarbonitrile

C11H4N6S — CID 112595760

IUPAC1-thieno[2,3-d]pyrimidin-4-ylimidazole-4,5-dicarbonitrile
SMILESN#Cc1ncn(-c2ncnc3sccc23)c1C#N
InChIInChI=1S/C11H4N6S/c12-3-8-9(4-13)17(6-16-8)10-7-1-2-18-11(7)15-5-14-10/h1-2,5-6H
InChIKeyGLGYOBWVOXKFPM-UHFFFAOYSA-N
MW252.26 g/mol
LogP1.62
Rot. Bonds1

About 1-thieno[2,3-d]pyrimidin-4-ylimidazole-4,5-dicarbonitrile

1-thieno[2,3-d]pyrimidin-4-ylimidazole-4,5-dicarbonitrile (PubChem CID 112595760) has the molecular formula C11H4N6S and a molecular weight of 252.26 g/mol. Its IUPAC name is 1-thieno[2,3-d]pyrimidin-4-ylimidazole-4,5-dicarbonitrile.

Molecular Properties

Compound Name1-thieno[2,3-d]pyrimidin-4-ylimidazole-4,5-dicarbonitrile
PubChem CID112595760
Molecular FormulaC11H4N6S
Molecular Weight252.26 g/mol
Exact Mass252.02
IUPAC Name1-thieno[2,3-d]pyrimidin-4-ylimidazole-4,5-dicarbonitrile
SMILESN#Cc1ncn(-c2ncnc3sccc23)c1C#N
InChIInChI=1S/C11H4N6S/c12-3-8-9(4-13)17(6-16-8)10-7-1-2-18-11(7)15-5-14-10/h1-2,5-6H
InChIKeyGLGYOBWVOXKFPM-UHFFFAOYSA-N
XLogP1.62
TPSA91.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-(benzimidazol-1-yl)thieno[2,3-d]pyrimidine
CID 17417188
1-(5-amino-6-chloropyrimidin-4-yl)imidazole-4,5-dicarbonitrile
CID 112594850
4-(3-bromopyrazol-1-yl)thieno[2,3-d]pyrimidine
CID 131207505
1-(3-amino-4-cyano-2-pyridinyl)imidazole-4,5-dicarbonitrile
CID 112594841
4-[(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methyl]benzonitrile
CID 9109446
1-(5-bromo-3-methyl-2-pyridinyl)imidazole-4,5-dicarbonitrile
CID 112595882
1-(5-bromo-3-chloro-2-pyridinyl)imidazole-4,5-dicarbonitrile
CID 103583527
1-(5-fluoropyrimidin-2-yl)imidazole-4,5-dicarbonitrile
CID 104606645
4-thieno[2,3-d]pyrimidin-4-ylmorpholine
CID 2457329
1-(5-bromo-2-cyano-3-pyridinyl)imidazole-4,5-dicarbonitrile
CID 114202972
4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)thieno[2,3-d]pyrimidine
CID 157019262
4-[2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethoxy]benzonitrile
CID 86921884

Frequently Asked Questions

What is the IUPAC name of 1-thieno[2,3-d]pyrimidin-4-ylimidazole-4,5-dicarbonitrile?
The IUPAC name of 1-thieno[2,3-d]pyrimidin-4-ylimidazole-4,5-dicarbonitrile (CID 112595760) is 1-thieno[2,3-d]pyrimidin-4-ylimidazole-4,5-dicarbonitrile.
What is the SMILES notation for 1-thieno[2,3-d]pyrimidin-4-ylimidazole-4,5-dicarbonitrile?
The canonical SMILES for 1-thieno[2,3-d]pyrimidin-4-ylimidazole-4,5-dicarbonitrile is N#Cc1ncn(-c2ncnc3sccc23)c1C#N.
What is the InChIKey of 1-thieno[2,3-d]pyrimidin-4-ylimidazole-4,5-dicarbonitrile?
The InChIKey is GLGYOBWVOXKFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4N6S/c12-3-8-9(4-13)17(6-16-8)10-7-1-2-18-11(7)15-5-14-10/h1-2,5-6H.
What are the key properties of 1-thieno[2,3-d]pyrimidin-4-ylimidazole-4,5-dicarbonitrile?
1-thieno[2,3-d]pyrimidin-4-ylimidazole-4,5-dicarbonitrile has a molecular weight of 252.26 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thieno[2,3-d]pyrimidin-4-ylimidazole-4,5-dicarbonitrile is sourced from PubChem (CID 112595760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).