2-(8-fluoro-7-methoxyquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole

C15H14FN3OS — CID 91804782

IUPAC2-(8-fluoro-7-methoxyquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole
SMILESCOc1ccc2cnc(-c3nc(C(C)C)cs3)nc2c1F
InChIInChI=1S/C15H14FN3OS/c1-8(2)10-7-21-15(18-10)14-17-6-9-4-5-11(20-3)12(16)13(9)19-14/h4-8H,1-3H3
InChIKeyRRDYSAFLVNDADL-UHFFFAOYSA-N
MW303.36 g/mol
LogP4.02
Rot. Bonds3

About 2-(8-fluoro-7-methoxyquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole

2-(8-fluoro-7-methoxyquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole (PubChem CID 91804782) has the molecular formula C15H14FN3OS and a molecular weight of 303.36 g/mol. Its IUPAC name is 2-(8-fluoro-7-methoxyquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(8-fluoro-7-methoxyquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole
PubChem CID91804782
Molecular FormulaC15H14FN3OS
Molecular Weight303.36 g/mol
Exact Mass303.08
IUPAC Name2-(8-fluoro-7-methoxyquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole
SMILESCOc1ccc2cnc(-c3nc(C(C)C)cs3)nc2c1F
InChIInChI=1S/C15H14FN3OS/c1-8(2)10-7-21-15(18-10)14-17-6-9-4-5-11(20-3)12(16)13(9)19-14/h4-8H,1-3H3
InChIKeyRRDYSAFLVNDADL-UHFFFAOYSA-N
XLogP4.02
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(8-fluoro-7-methoxyquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole 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 2-(8-fluoro-7-methoxyquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole?
The IUPAC name of 2-(8-fluoro-7-methoxyquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole (CID 91804782) is 2-(8-fluoro-7-methoxyquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 2-(8-fluoro-7-methoxyquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole?
The canonical SMILES for 2-(8-fluoro-7-methoxyquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole is COc1ccc2cnc(-c3nc(C(C)C)cs3)nc2c1F.
What is the InChIKey of 2-(8-fluoro-7-methoxyquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole?
The InChIKey is RRDYSAFLVNDADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3OS/c1-8(2)10-7-21-15(18-10)14-17-6-9-4-5-11(20-3)12(16)13(9)19-14/h4-8H,1-3H3.
What are the key properties of 2-(8-fluoro-7-methoxyquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole?
2-(8-fluoro-7-methoxyquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole has a molecular weight of 303.36 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-fluoro-7-methoxyquinazolin-2-yl)-4-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 91804782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).