2-fluoro-N-[7-methoxy-4-(5-phenyl-1,2-thiazol-4-yl)quinazolin-6-yl]benzamide

C25H17FN4O2S — CID 176978873

IUPAC2-fluoro-N-[7-methoxy-4-(5-phenyl-1,2-thiazol-4-yl)quinazolin-6-yl]benzamide
SMILESCOc1cc2ncnc(-c3cnsc3-c3ccccc3)c2cc1NC(=O)c1ccccc1F
InChIInChI=1S/C25H17FN4O2S/c1-32-22-12-20-17(11-21(22)30-25(31)16-9-5-6-10-19(16)26)23(28-14-27-20)18-13-29-33-24(18)15-7-3-2-4-8-15/h2-14H,1H3,(H,30,31)
InChIKeyNJSYYCSWCWLJSH-UHFFFAOYSA-N
MW456.50 g/mol
LogP5.82
Rot. Bonds5

About 2-fluoro-N-[7-methoxy-4-(5-phenyl-1,2-thiazol-4-yl)quinazolin-6-yl]benzamide

2-fluoro-N-[7-methoxy-4-(5-phenyl-1,2-thiazol-4-yl)quinazolin-6-yl]benzamide (PubChem CID 176978873) has the molecular formula C25H17FN4O2S and a molecular weight of 456.50 g/mol. Its IUPAC name is 2-fluoro-N-[7-methoxy-4-(5-phenyl-1,2-thiazol-4-yl)quinazolin-6-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[7-methoxy-4-(5-phenyl-1,2-thiazol-4-yl)quinazolin-6-yl]benzamide
PubChem CID176978873
Molecular FormulaC25H17FN4O2S
Molecular Weight456.50 g/mol
Exact Mass456.11
IUPAC Name2-fluoro-N-[7-methoxy-4-(5-phenyl-1,2-thiazol-4-yl)quinazolin-6-yl]benzamide
SMILESCOc1cc2ncnc(-c3cnsc3-c3ccccc3)c2cc1NC(=O)c1ccccc1F
InChIInChI=1S/C25H17FN4O2S/c1-32-22-12-20-17(11-21(22)30-25(31)16-9-5-6-10-19(16)26)23(28-14-27-20)18-13-29-33-24(18)15-7-3-2-4-8-15/h2-14H,1H3,(H,30,31)
InChIKeyNJSYYCSWCWLJSH-UHFFFAOYSA-N
XLogP5.82
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.50
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-fluoro-N-[7-methoxy-4-(5-phenyl-1,2-thiazol-4-yl)quinazolin-6-yl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

6-cyclopropyl-N-[4-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-7-methoxyquinazolin-6-yl]pyridine-3-carboxamide
CID 169231227
2-[(2-fluorobenzoyl)amino]-4,5-dimethoxybenzoic acid
CID 707198
cis-(1R,2S)-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-2-methylcyclopropane-1-carboxamide
CID 169231672
N-[7-methoxy-4-(2-methyl-4-phenyl-1,3-thiazol-5-yl)quinazolin-6-yl]cyclopropanecarboxamide
CID 169231534
N-(5-chloro-2,4-dimethoxyphenyl)-2-fluorobenzamide
CID 836294
N-(5-tert-butyl-2-methoxyphenyl)-2-fluorobenzamide
CID 2086520
N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-2,5-dimethylpiperazine-1-carboxamide
CID 176837271
methyl 2-[(2-quinazolin-4-ylbenzoyl)amino]benzoate
CID 23738654
N-[2-chloro-5-[(6,7-dimethoxyquinazolin-4-yl)amino]-4-fluorophenyl]benzamide;hydrochloride
CID 22732318
(3S,4S)-3-fluoro-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-1-methylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 170162449
N-[4-[1-(2,2-difluoroethyl)-3-phenylpyrazol-4-yl]-7-methoxyquinazolin-6-yl]-3-oxabicyclo[3.1.0]hexane-1-carboxamide
CID 169231444
[4-(1-methyl-3-phenylpyrazol-4-yl)-6-(propanoylamino)quinazolin-7-yl] trifluoromethanesulfonate
CID 169231676

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[7-methoxy-4-(5-phenyl-1,2-thiazol-4-yl)quinazolin-6-yl]benzamide?
The IUPAC name of 2-fluoro-N-[7-methoxy-4-(5-phenyl-1,2-thiazol-4-yl)quinazolin-6-yl]benzamide (CID 176978873) is 2-fluoro-N-[7-methoxy-4-(5-phenyl-1,2-thiazol-4-yl)quinazolin-6-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[7-methoxy-4-(5-phenyl-1,2-thiazol-4-yl)quinazolin-6-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[7-methoxy-4-(5-phenyl-1,2-thiazol-4-yl)quinazolin-6-yl]benzamide is COc1cc2ncnc(-c3cnsc3-c3ccccc3)c2cc1NC(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[7-methoxy-4-(5-phenyl-1,2-thiazol-4-yl)quinazolin-6-yl]benzamide?
The InChIKey is NJSYYCSWCWLJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17FN4O2S/c1-32-22-12-20-17(11-21(22)30-25(31)16-9-5-6-10-19(16)26)23(28-14-27-20)18-13-29-33-24(18)15-7-3-2-4-8-15/h2-14H,1H3,(H,30,31).
What are the key properties of 2-fluoro-N-[7-methoxy-4-(5-phenyl-1,2-thiazol-4-yl)quinazolin-6-yl]benzamide?
2-fluoro-N-[7-methoxy-4-(5-phenyl-1,2-thiazol-4-yl)quinazolin-6-yl]benzamide has a molecular weight of 456.50 g/mol, XLogP of 5.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[7-methoxy-4-(5-phenyl-1,2-thiazol-4-yl)quinazolin-6-yl]benzamide is sourced from PubChem (CID 176978873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).