6,7-dimethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine

C20H18N4O2S — CID 10172657

IUPAC6,7-dimethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine
SMILESCOc1cc2ncnc(Nc3cccc(-c4csc(C)n4)c3)c2cc1OC
InChIInChI=1S/C20H18N4O2S/c1-12-23-17(10-27-12)13-5-4-6-14(7-13)24-20-15-8-18(25-2)19(26-3)9-16(15)21-11-22-20/h4-11H,1-3H3,(H,21,22,24)
InChIKeyRWNZPADZIFBAIW-UHFFFAOYSA-N
MW378.46 g/mol
LogP4.82
Rot. Bonds5

About 6,7-dimethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine

6,7-dimethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine (PubChem CID 10172657) has the molecular formula C20H18N4O2S and a molecular weight of 378.46 g/mol. Its IUPAC name is 6,7-dimethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine.

Molecular Properties

Compound Name6,7-dimethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine
PubChem CID10172657
Molecular FormulaC20H18N4O2S
Molecular Weight378.46 g/mol
Exact Mass378.12
IUPAC Name6,7-dimethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine
SMILESCOc1cc2ncnc(Nc3cccc(-c4csc(C)n4)c3)c2cc1OC
InChIInChI=1S/C20H18N4O2S/c1-12-23-17(10-27-12)13-5-4-6-14(7-13)24-20-15-8-18(25-2)19(26-3)9-16(15)21-11-22-20/h4-11H,1-3H3,(H,21,22,24)
InChIKeyRWNZPADZIFBAIW-UHFFFAOYSA-N
XLogP4.82
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6,7-dimethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]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 6,7-dimethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine?
The IUPAC name of 6,7-dimethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine (CID 10172657) is 6,7-dimethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine.
What is the SMILES notation for 6,7-dimethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine?
The canonical SMILES for 6,7-dimethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine is COc1cc2ncnc(Nc3cccc(-c4csc(C)n4)c3)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine?
The InChIKey is RWNZPADZIFBAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S/c1-12-23-17(10-27-12)13-5-4-6-14(7-13)24-20-15-8-18(25-2)19(26-3)9-16(15)21-11-22-20/h4-11H,1-3H3,(H,21,22,24).
What are the key properties of 6,7-dimethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine?
6,7-dimethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine has a molecular weight of 378.46 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine is sourced from PubChem (CID 10172657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).