2-(1-benzothiophen-2-yl)-[1,2,4]triazolo[1,5-c]quinazoline

C17H10N4S — CID 47082812

IUPAC2-(1-benzothiophen-2-yl)-[1,2,4]triazolo[1,5-c]quinazoline
SMILESc1ccc2sc(-c3nc4c5ccccc5ncn4n3)cc2c1
InChIInChI=1S/C17H10N4S/c1-4-8-14-11(5-1)9-15(22-14)16-19-17-12-6-2-3-7-13(12)18-10-21(17)20-16/h1-10H
InChIKeyZXDZSNNVIIMIGJ-UHFFFAOYSA-N
MW302.36 g/mol
LogP4.16
Rot. Bonds1

About 2-(1-benzothiophen-2-yl)-[1,2,4]triazolo[1,5-c]quinazoline

2-(1-benzothiophen-2-yl)-[1,2,4]triazolo[1,5-c]quinazoline (PubChem CID 47082812) has the molecular formula C17H10N4S and a molecular weight of 302.36 g/mol. Its IUPAC name is 2-(1-benzothiophen-2-yl)-[1,2,4]triazolo[1,5-c]quinazoline.

Molecular Properties

Compound Name2-(1-benzothiophen-2-yl)-[1,2,4]triazolo[1,5-c]quinazoline
PubChem CID47082812
Molecular FormulaC17H10N4S
Molecular Weight302.36 g/mol
Exact Mass302.06
IUPAC Name2-(1-benzothiophen-2-yl)-[1,2,4]triazolo[1,5-c]quinazoline
SMILESc1ccc2sc(-c3nc4c5ccccc5ncn4n3)cc2c1
InChIInChI=1S/C17H10N4S/c1-4-8-14-11(5-1)9-15(22-14)16-19-17-12-6-2-3-7-13(12)18-10-21(17)20-16/h1-10H
InChIKeyZXDZSNNVIIMIGJ-UHFFFAOYSA-N
XLogP4.16
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-2-yl)-[1,2,4]triazolo[1,5-c]quinazoline?
The IUPAC name of 2-(1-benzothiophen-2-yl)-[1,2,4]triazolo[1,5-c]quinazoline (CID 47082812) is 2-(1-benzothiophen-2-yl)-[1,2,4]triazolo[1,5-c]quinazoline.
What is the SMILES notation for 2-(1-benzothiophen-2-yl)-[1,2,4]triazolo[1,5-c]quinazoline?
The canonical SMILES for 2-(1-benzothiophen-2-yl)-[1,2,4]triazolo[1,5-c]quinazoline is c1ccc2sc(-c3nc4c5ccccc5ncn4n3)cc2c1.
What is the InChIKey of 2-(1-benzothiophen-2-yl)-[1,2,4]triazolo[1,5-c]quinazoline?
The InChIKey is ZXDZSNNVIIMIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N4S/c1-4-8-14-11(5-1)9-15(22-14)16-19-17-12-6-2-3-7-13(12)18-10-21(17)20-16/h1-10H.
What are the key properties of 2-(1-benzothiophen-2-yl)-[1,2,4]triazolo[1,5-c]quinazoline?
2-(1-benzothiophen-2-yl)-[1,2,4]triazolo[1,5-c]quinazoline has a molecular weight of 302.36 g/mol, XLogP of 4.16, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-2-yl)-[1,2,4]triazolo[1,5-c]quinazoline is sourced from PubChem (CID 47082812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).