2-thiophen-2-yl-N-(thiophen-2-ylmethyl)quinazolin-4-amine

C17H13N3S2 — CID 4882702

IUPAC2-thiophen-2-yl-N-(thiophen-2-ylmethyl)quinazolin-4-amine
SMILESc1csc(CNc2nc(-c3cccs3)nc3ccccc23)c1
InChIInChI=1S/C17H13N3S2/c1-2-7-14-13(6-1)16(18-11-12-5-3-9-21-12)20-17(19-14)15-8-4-10-22-15/h1-10H,11H2,(H,18,19,20)
InChIKeyKPHOJOSUCIJYIZ-UHFFFAOYSA-N
MW323.45 g/mol
LogP5.03
Rot. Bonds4

About 2-thiophen-2-yl-N-(thiophen-2-ylmethyl)quinazolin-4-amine

2-thiophen-2-yl-N-(thiophen-2-ylmethyl)quinazolin-4-amine (PubChem CID 4882702) has the molecular formula C17H13N3S2 and a molecular weight of 323.45 g/mol. Its IUPAC name is 2-thiophen-2-yl-N-(thiophen-2-ylmethyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-thiophen-2-yl-N-(thiophen-2-ylmethyl)quinazolin-4-amine
PubChem CID4882702
Molecular FormulaC17H13N3S2
Molecular Weight323.45 g/mol
Exact Mass323.06
IUPAC Name2-thiophen-2-yl-N-(thiophen-2-ylmethyl)quinazolin-4-amine
SMILESc1csc(CNc2nc(-c3cccs3)nc3ccccc23)c1
InChIInChI=1S/C17H13N3S2/c1-2-7-14-13(6-1)16(18-11-12-5-3-9-21-12)20-17(19-14)15-8-4-10-22-15/h1-10H,11H2,(H,18,19,20)
InChIKeyKPHOJOSUCIJYIZ-UHFFFAOYSA-N
XLogP5.03
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.45
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-N-(thiophen-2-ylmethyl)quinazolin-4-amine?
The IUPAC name of 2-thiophen-2-yl-N-(thiophen-2-ylmethyl)quinazolin-4-amine (CID 4882702) is 2-thiophen-2-yl-N-(thiophen-2-ylmethyl)quinazolin-4-amine.
What is the SMILES notation for 2-thiophen-2-yl-N-(thiophen-2-ylmethyl)quinazolin-4-amine?
The canonical SMILES for 2-thiophen-2-yl-N-(thiophen-2-ylmethyl)quinazolin-4-amine is c1csc(CNc2nc(-c3cccs3)nc3ccccc23)c1.
What is the InChIKey of 2-thiophen-2-yl-N-(thiophen-2-ylmethyl)quinazolin-4-amine?
The InChIKey is KPHOJOSUCIJYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3S2/c1-2-7-14-13(6-1)16(18-11-12-5-3-9-21-12)20-17(19-14)15-8-4-10-22-15/h1-10H,11H2,(H,18,19,20).
What are the key properties of 2-thiophen-2-yl-N-(thiophen-2-ylmethyl)quinazolin-4-amine?
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)quinazolin-4-amine has a molecular weight of 323.45 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-N-(thiophen-2-ylmethyl)quinazolin-4-amine is sourced from PubChem (CID 4882702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).