5-phenyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)thieno[2,3-d]pyrimidine

C18H11N5S2 — CID 1177206

IUPAC5-phenyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)thieno[2,3-d]pyrimidine
SMILESc1ccc(-c2csc3ncnc(Sc4nnc5ccccn45)c23)cc1
InChIInChI=1S/C18H11N5S2/c1-2-6-12(7-3-1)13-10-24-16-15(13)17(20-11-19-16)25-18-22-21-14-8-4-5-9-23(14)18/h1-11H
InChIKeyVTWTZEHOBOADIH-UHFFFAOYSA-N
MW361.46 g/mol
LogP4.55
Rot. Bonds3

About 5-phenyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)thieno[2,3-d]pyrimidine

5-phenyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)thieno[2,3-d]pyrimidine (PubChem CID 1177206) has the molecular formula C18H11N5S2 and a molecular weight of 361.46 g/mol. Its IUPAC name is 5-phenyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name5-phenyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)thieno[2,3-d]pyrimidine
PubChem CID1177206
Molecular FormulaC18H11N5S2
Molecular Weight361.46 g/mol
Exact Mass361.05
IUPAC Name5-phenyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)thieno[2,3-d]pyrimidine
SMILESc1ccc(-c2csc3ncnc(Sc4nnc5ccccn45)c23)cc1
InChIInChI=1S/C18H11N5S2/c1-2-6-12(7-3-1)13-10-24-16-15(13)17(20-11-19-16)25-18-22-21-14-8-4-5-9-23(14)18/h1-11H
InChIKeyVTWTZEHOBOADIH-UHFFFAOYSA-N
XLogP4.55
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)thieno[2,3-d]pyrimidine?
The IUPAC name of 5-phenyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)thieno[2,3-d]pyrimidine (CID 1177206) is 5-phenyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 5-phenyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 5-phenyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)thieno[2,3-d]pyrimidine is c1ccc(-c2csc3ncnc(Sc4nnc5ccccn45)c23)cc1.
What is the InChIKey of 5-phenyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)thieno[2,3-d]pyrimidine?
The InChIKey is VTWTZEHOBOADIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N5S2/c1-2-6-12(7-3-1)13-10-24-16-15(13)17(20-11-19-16)25-18-22-21-14-8-4-5-9-23(14)18/h1-11H.
What are the key properties of 5-phenyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)thieno[2,3-d]pyrimidine?
5-phenyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)thieno[2,3-d]pyrimidine has a molecular weight of 361.46 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 1177206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).