2-thiophen-2-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]quinazolin-4-amine

C20H16N6S — CID 24508292

IUPAC2-thiophen-2-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]quinazolin-4-amine
SMILESCC(Nc1nc(-c2cccs2)nc2ccccc12)c1nnc2ccccn12
InChIInChI=1S/C20H16N6S/c1-13(20-25-24-17-10-4-5-11-26(17)20)21-18-14-7-2-3-8-15(14)22-19(23-18)16-9-6-12-27-16/h2-13H,1H3,(H,21,22,23)
InChIKeyVQZYLGFUWJSWDT-UHFFFAOYSA-N
MW372.46 g/mol
LogP4.57
Rot. Bonds4

About 2-thiophen-2-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]quinazolin-4-amine

2-thiophen-2-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]quinazolin-4-amine (PubChem CID 24508292) has the molecular formula C20H16N6S and a molecular weight of 372.46 g/mol. Its IUPAC name is 2-thiophen-2-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-thiophen-2-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]quinazolin-4-amine
PubChem CID24508292
Molecular FormulaC20H16N6S
Molecular Weight372.46 g/mol
Exact Mass372.12
IUPAC Name2-thiophen-2-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]quinazolin-4-amine
SMILESCC(Nc1nc(-c2cccs2)nc2ccccc12)c1nnc2ccccn12
InChIInChI=1S/C20H16N6S/c1-13(20-25-24-17-10-4-5-11-26(17)20)21-18-14-7-2-3-8-15(14)22-19(23-18)16-9-6-12-27-16/h2-13H,1H3,(H,21,22,23)
InChIKeyVQZYLGFUWJSWDT-UHFFFAOYSA-N
XLogP4.57
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.46
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-thiophen-2-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]quinazolin-4-amine with MolForge

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Related Compounds

2-pyridin-3-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]quinazolin-4-amine
CID 24508299
N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2-(trifluoromethyl)quinazolin-4-amine
CID 24508306
5-thiophen-2-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 78154443
3-methyl-2-[(2-thiophen-2-ylquinazolin-4-yl)amino]pentanoic acid
CID 91964442
3-phenyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,2,4-thiadiazol-5-amine
CID 133334637
N-[1-(4-methylmorpholin-2-yl)ethyl]-2-thiophen-2-ylquinazolin-4-amine
CID 133386447
N-benzyl-2-thiophen-2-ylquinazolin-4-amine
CID 2573787
(E)-3-thiophen-2-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-enamide
CID 51247935
3-methyl-1-[(2-thiophen-2-ylquinazolin-4-yl)amino]pyrrole-2,5-dione
CID 15435237
4-[(2-thiophen-2-ylquinazolin-4-yl)amino]phenol
CID 91964343
N-(3,3-diphenylpropyl)-2-thiophen-2-ylquinazolin-4-amine
CID 121377415
3-methyl-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thiophene-2-carboxamide
CID 26884680

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]quinazolin-4-amine?
The IUPAC name of 2-thiophen-2-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]quinazolin-4-amine (CID 24508292) is 2-thiophen-2-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]quinazolin-4-amine.
What is the SMILES notation for 2-thiophen-2-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]quinazolin-4-amine?
The canonical SMILES for 2-thiophen-2-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]quinazolin-4-amine is CC(Nc1nc(-c2cccs2)nc2ccccc12)c1nnc2ccccn12.
What is the InChIKey of 2-thiophen-2-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]quinazolin-4-amine?
The InChIKey is VQZYLGFUWJSWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6S/c1-13(20-25-24-17-10-4-5-11-26(17)20)21-18-14-7-2-3-8-15(14)22-19(23-18)16-9-6-12-27-16/h2-13H,1H3,(H,21,22,23).
What are the key properties of 2-thiophen-2-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]quinazolin-4-amine?
2-thiophen-2-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]quinazolin-4-amine has a molecular weight of 372.46 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]quinazolin-4-amine is sourced from PubChem (CID 24508292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).