N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-thiophen-3-ylquinazolin-4-amine

C15H12N6S — CID 20626480

IUPACN-(5-methyl-1H-1,2,4-triazol-3-yl)-2-thiophen-3-ylquinazolin-4-amine
SMILESCc1nc(Nc2nc(-c3ccsc3)nc3ccccc23)n[nH]1
InChIInChI=1S/C15H12N6S/c1-9-16-15(21-20-9)19-14-11-4-2-3-5-12(11)17-13(18-14)10-6-7-22-8-10/h2-8H,1H3,(H2,16,17,18,19,20,21)
InChIKeyIBQVQJVEZAIVNX-UHFFFAOYSA-N
MW308.37 g/mol
LogP3.53
Rot. Bonds3

About N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-thiophen-3-ylquinazolin-4-amine

N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-thiophen-3-ylquinazolin-4-amine (PubChem CID 20626480) has the molecular formula C15H12N6S and a molecular weight of 308.37 g/mol. Its IUPAC name is N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-thiophen-3-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-(5-methyl-1H-1,2,4-triazol-3-yl)-2-thiophen-3-ylquinazolin-4-amine
PubChem CID20626480
Molecular FormulaC15H12N6S
Molecular Weight308.37 g/mol
Exact Mass308.08
IUPAC NameN-(5-methyl-1H-1,2,4-triazol-3-yl)-2-thiophen-3-ylquinazolin-4-amine
SMILESCc1nc(Nc2nc(-c3ccsc3)nc3ccccc23)n[nH]1
InChIInChI=1S/C15H12N6S/c1-9-16-15(21-20-9)19-14-11-4-2-3-5-12(11)17-13(18-14)10-6-7-22-8-10/h2-8H,1H3,(H2,16,17,18,19,20,21)
InChIKeyIBQVQJVEZAIVNX-UHFFFAOYSA-N
XLogP3.53
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-thiophen-3-ylquinazolin-4-amine?
The IUPAC name of N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-thiophen-3-ylquinazolin-4-amine (CID 20626480) is N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-thiophen-3-ylquinazolin-4-amine.
What is the SMILES notation for N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-thiophen-3-ylquinazolin-4-amine?
The canonical SMILES for N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-thiophen-3-ylquinazolin-4-amine is Cc1nc(Nc2nc(-c3ccsc3)nc3ccccc23)n[nH]1.
What is the InChIKey of N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-thiophen-3-ylquinazolin-4-amine?
The InChIKey is IBQVQJVEZAIVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6S/c1-9-16-15(21-20-9)19-14-11-4-2-3-5-12(11)17-13(18-14)10-6-7-22-8-10/h2-8H,1H3,(H2,16,17,18,19,20,21).
What are the key properties of N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-thiophen-3-ylquinazolin-4-amine?
N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-thiophen-3-ylquinazolin-4-amine has a molecular weight of 308.37 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-thiophen-3-ylquinazolin-4-amine is sourced from PubChem (CID 20626480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).