8-methoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-6-(5-methyl-1,3-thiazol-2-yl)quinazolin-4-amine

C18H18N6O2S — CID 155728834

IUPAC8-methoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-6-(5-methyl-1,3-thiazol-2-yl)quinazolin-4-amine
SMILESCOc1cc(-c2ncc(C)s2)cc2c(NC(C)c3noc(C)n3)ncnc12
InChIInChI=1S/C18H18N6O2S/c1-9-7-19-18(27-9)12-5-13-15(14(6-12)25-4)20-8-21-17(13)22-10(2)16-23-11(3)26-24-16/h5-8,10H,1-4H3,(H,20,21,22)
InChIKeyCWPOPFWWEUKGEJ-UHFFFAOYSA-N
MW382.45 g/mol
LogP3.93
Rot. Bonds5

About 8-methoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-6-(5-methyl-1,3-thiazol-2-yl)quinazolin-4-amine

8-methoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-6-(5-methyl-1,3-thiazol-2-yl)quinazolin-4-amine (PubChem CID 155728834) has the molecular formula C18H18N6O2S and a molecular weight of 382.45 g/mol. Its IUPAC name is 8-methoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-6-(5-methyl-1,3-thiazol-2-yl)quinazolin-4-amine.

Molecular Properties

Compound Name8-methoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-6-(5-methyl-1,3-thiazol-2-yl)quinazolin-4-amine
PubChem CID155728834
Molecular FormulaC18H18N6O2S
Molecular Weight382.45 g/mol
Exact Mass382.12
IUPAC Name8-methoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-6-(5-methyl-1,3-thiazol-2-yl)quinazolin-4-amine
SMILESCOc1cc(-c2ncc(C)s2)cc2c(NC(C)c3noc(C)n3)ncnc12
InChIInChI=1S/C18H18N6O2S/c1-9-7-19-18(27-9)12-5-13-15(14(6-12)25-4)20-8-21-17(13)22-10(2)16-23-11(3)26-24-16/h5-8,10H,1-4H3,(H,20,21,22)
InChIKeyCWPOPFWWEUKGEJ-UHFFFAOYSA-N
XLogP3.93
TPSA98.85 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 8-methoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-6-(5-methyl-1,3-thiazol-2-yl)quinazolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-6-(5-methyl-1,3-thiazol-2-yl)quinazolin-4-amine?
The IUPAC name of 8-methoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-6-(5-methyl-1,3-thiazol-2-yl)quinazolin-4-amine (CID 155728834) is 8-methoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-6-(5-methyl-1,3-thiazol-2-yl)quinazolin-4-amine.
What is the SMILES notation for 8-methoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-6-(5-methyl-1,3-thiazol-2-yl)quinazolin-4-amine?
The canonical SMILES for 8-methoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-6-(5-methyl-1,3-thiazol-2-yl)quinazolin-4-amine is COc1cc(-c2ncc(C)s2)cc2c(NC(C)c3noc(C)n3)ncnc12.
What is the InChIKey of 8-methoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-6-(5-methyl-1,3-thiazol-2-yl)quinazolin-4-amine?
The InChIKey is CWPOPFWWEUKGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2S/c1-9-7-19-18(27-9)12-5-13-15(14(6-12)25-4)20-8-21-17(13)22-10(2)16-23-11(3)26-24-16/h5-8,10H,1-4H3,(H,20,21,22).
What are the key properties of 8-methoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-6-(5-methyl-1,3-thiazol-2-yl)quinazolin-4-amine?
8-methoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-6-(5-methyl-1,3-thiazol-2-yl)quinazolin-4-amine has a molecular weight of 382.45 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-6-(5-methyl-1,3-thiazol-2-yl)quinazolin-4-amine is sourced from PubChem (CID 155728834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).