4-[3-[(6,7-diethoxyquinazolin-4-yl)amino]phenyl]-1,3-thiazol-2-amine

C21H21N5O2S — CID 10216257

IUPAC4-[3-[(6,7-diethoxyquinazolin-4-yl)amino]phenyl]-1,3-thiazol-2-amine
SMILESCCOc1cc2ncnc(Nc3cccc(-c4csc(N)n4)c3)c2cc1OCC
InChIInChI=1S/C21H21N5O2S/c1-3-27-18-9-15-16(10-19(18)28-4-2)23-12-24-20(15)25-14-7-5-6-13(8-14)17-11-29-21(22)26-17/h5-12H,3-4H2,1-2H3,(H2,22,26)(H,23,24,25)
InChIKeyGOHZFDZYDZGWHC-UHFFFAOYSA-N
MW407.50 g/mol
LogP4.88
Rot. Bonds7

About 4-[3-[(6,7-diethoxyquinazolin-4-yl)amino]phenyl]-1,3-thiazol-2-amine

4-[3-[(6,7-diethoxyquinazolin-4-yl)amino]phenyl]-1,3-thiazol-2-amine (PubChem CID 10216257) has the molecular formula C21H21N5O2S and a molecular weight of 407.50 g/mol. Its IUPAC name is 4-[3-[(6,7-diethoxyquinazolin-4-yl)amino]phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[3-[(6,7-diethoxyquinazolin-4-yl)amino]phenyl]-1,3-thiazol-2-amine
PubChem CID10216257
Molecular FormulaC21H21N5O2S
Molecular Weight407.50 g/mol
Exact Mass407.14
IUPAC Name4-[3-[(6,7-diethoxyquinazolin-4-yl)amino]phenyl]-1,3-thiazol-2-amine
SMILESCCOc1cc2ncnc(Nc3cccc(-c4csc(N)n4)c3)c2cc1OCC
InChIInChI=1S/C21H21N5O2S/c1-3-27-18-9-15-16(10-19(18)28-4-2)23-12-24-20(15)25-14-7-5-6-13(8-14)17-11-29-21(22)26-17/h5-12H,3-4H2,1-2H3,(H2,22,26)(H,23,24,25)
InChIKeyGOHZFDZYDZGWHC-UHFFFAOYSA-N
XLogP4.88
TPSA95.18 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[3-[(6,7-diethoxyquinazolin-4-yl)amino]phenyl]-1,3-thiazol-2-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 4-[3-[(6,7-diethoxyquinazolin-4-yl)amino]phenyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[3-[(6,7-diethoxyquinazolin-4-yl)amino]phenyl]-1,3-thiazol-2-amine (CID 10216257) is 4-[3-[(6,7-diethoxyquinazolin-4-yl)amino]phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[3-[(6,7-diethoxyquinazolin-4-yl)amino]phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[3-[(6,7-diethoxyquinazolin-4-yl)amino]phenyl]-1,3-thiazol-2-amine is CCOc1cc2ncnc(Nc3cccc(-c4csc(N)n4)c3)c2cc1OCC.
What is the InChIKey of 4-[3-[(6,7-diethoxyquinazolin-4-yl)amino]phenyl]-1,3-thiazol-2-amine?
The InChIKey is GOHZFDZYDZGWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2S/c1-3-27-18-9-15-16(10-19(18)28-4-2)23-12-24-20(15)25-14-7-5-6-13(8-14)17-11-29-21(22)26-17/h5-12H,3-4H2,1-2H3,(H2,22,26)(H,23,24,25).
What are the key properties of 4-[3-[(6,7-diethoxyquinazolin-4-yl)amino]phenyl]-1,3-thiazol-2-amine?
4-[3-[(6,7-diethoxyquinazolin-4-yl)amino]phenyl]-1,3-thiazol-2-amine has a molecular weight of 407.50 g/mol, XLogP of 4.88, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(6,7-diethoxyquinazolin-4-yl)amino]phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 10216257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).