2-thieno[3,2-d]pyrimidin-4-ylbenzonitrile

C13H7N3S — CID 39818616

IUPAC2-thieno[3,2-d]pyrimidin-4-ylbenzonitrile
SMILESN#Cc1ccccc1-c1ncnc2ccsc12
InChIInChI=1S/C13H7N3S/c14-7-9-3-1-2-4-10(9)12-13-11(5-6-17-13)15-8-16-12/h1-6,8H
InChIKeyFZRCBUIKYOIPNN-UHFFFAOYSA-N
MW237.29 g/mol
LogP3.23
Rot. Bonds1

About 2-thieno[3,2-d]pyrimidin-4-ylbenzonitrile

2-thieno[3,2-d]pyrimidin-4-ylbenzonitrile (PubChem CID 39818616) has the molecular formula C13H7N3S and a molecular weight of 237.29 g/mol. Its IUPAC name is 2-thieno[3,2-d]pyrimidin-4-ylbenzonitrile.

Molecular Properties

Compound Name2-thieno[3,2-d]pyrimidin-4-ylbenzonitrile
PubChem CID39818616
Molecular FormulaC13H7N3S
Molecular Weight237.29 g/mol
Exact Mass237.04
IUPAC Name2-thieno[3,2-d]pyrimidin-4-ylbenzonitrile
SMILESN#Cc1ccccc1-c1ncnc2ccsc12
InChIInChI=1S/C13H7N3S/c14-7-9-3-1-2-4-10(9)12-13-11(5-6-17-13)15-8-16-12/h1-6,8H
InChIKeyFZRCBUIKYOIPNN-UHFFFAOYSA-N
XLogP3.23
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-amino-1,3-thiazol-4-yl)benzonitrile
CID 107936704
2-(7-hydroxy-1,3-benzothiazol-6-yl)benzonitrile
CID 175011567
4-(2,5-difluorophenyl)thieno[3,2-d]pyrimidine
CID 58661207
1,3-benzothiazole-7-carbonitrile
CID 69455274
2-[6-[2,3-bis(2-cyanophenyl)quinoxalin-6-yl]-3-(2-cyanophenyl)quinoxalin-2-yl]benzonitrile
CID 70667457
2-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)isoindole-1,3-dione
CID 18123811
2-[4-(3-aminothiophen-2-yl)phenyl]benzonitrile
CID 69252430
6-(5-thieno[3,2-d]pyrimidin-4-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)pyridine-3-carbonitrile
CID 146079895
iridium;4-(3,4,5-trifluorobenzene-6-id-1-yl)thieno[3,2-d]pyrimidine
CID 58661163
2-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)indolizine-1-carbonitrile
CID 47016842
N-(3-chloro-4-cyanophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide
CID 51280486
2-[3-(2-cyanophenyl)-2-pyrimidin-4-ylphenyl]benzonitrile
CID 54598273

Frequently Asked Questions

What is the IUPAC name of 2-thieno[3,2-d]pyrimidin-4-ylbenzonitrile?
The IUPAC name of 2-thieno[3,2-d]pyrimidin-4-ylbenzonitrile (CID 39818616) is 2-thieno[3,2-d]pyrimidin-4-ylbenzonitrile.
What is the SMILES notation for 2-thieno[3,2-d]pyrimidin-4-ylbenzonitrile?
The canonical SMILES for 2-thieno[3,2-d]pyrimidin-4-ylbenzonitrile is N#Cc1ccccc1-c1ncnc2ccsc12.
What is the InChIKey of 2-thieno[3,2-d]pyrimidin-4-ylbenzonitrile?
The InChIKey is FZRCBUIKYOIPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7N3S/c14-7-9-3-1-2-4-10(9)12-13-11(5-6-17-13)15-8-16-12/h1-6,8H.
What are the key properties of 2-thieno[3,2-d]pyrimidin-4-ylbenzonitrile?
2-thieno[3,2-d]pyrimidin-4-ylbenzonitrile has a molecular weight of 237.29 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thieno[3,2-d]pyrimidin-4-ylbenzonitrile is sourced from PubChem (CID 39818616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).