4-[[6-(1,3-thiazol-5-yl)-8-(trifluoromethyl)quinazolin-4-yl]amino]benzamide

C19H12F3N5OS — CID 118736875

IUPAC4-[[6-(1,3-thiazol-5-yl)-8-(trifluoromethyl)quinazolin-4-yl]amino]benzamide
SMILESNC(=O)c1ccc(Nc2ncnc3c(C(F)(F)F)cc(-c4cncs4)cc23)cc1
InChIInChI=1S/C19H12F3N5OS/c20-19(21,22)14-6-11(15-7-24-9-29-15)5-13-16(14)25-8-26-18(13)27-12-3-1-10(2-4-12)17(23)28/h1-9H,(H2,23,28)(H,25,26,27)
InChIKeyDMHJHSKVAFHFOT-UHFFFAOYSA-N
MW415.40 g/mol
LogP4.61
Rot. Bonds4

About 4-[[6-(1,3-thiazol-5-yl)-8-(trifluoromethyl)quinazolin-4-yl]amino]benzamide

4-[[6-(1,3-thiazol-5-yl)-8-(trifluoromethyl)quinazolin-4-yl]amino]benzamide (PubChem CID 118736875) has the molecular formula C19H12F3N5OS and a molecular weight of 415.40 g/mol. Its IUPAC name is 4-[[6-(1,3-thiazol-5-yl)-8-(trifluoromethyl)quinazolin-4-yl]amino]benzamide.

Molecular Properties

Compound Name4-[[6-(1,3-thiazol-5-yl)-8-(trifluoromethyl)quinazolin-4-yl]amino]benzamide
PubChem CID118736875
Molecular FormulaC19H12F3N5OS
Molecular Weight415.40 g/mol
Exact Mass415.07
IUPAC Name4-[[6-(1,3-thiazol-5-yl)-8-(trifluoromethyl)quinazolin-4-yl]amino]benzamide
SMILESNC(=O)c1ccc(Nc2ncnc3c(C(F)(F)F)cc(-c4cncs4)cc23)cc1
InChIInChI=1S/C19H12F3N5OS/c20-19(21,22)14-6-11(15-7-24-9-29-15)5-13-16(14)25-8-26-18(13)27-12-3-1-10(2-4-12)17(23)28/h1-9H,(H2,23,28)(H,25,26,27)
InChIKeyDMHJHSKVAFHFOT-UHFFFAOYSA-N
XLogP4.61
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.40
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[6-(1,3-thiazol-5-yl)-8-(trifluoromethyl)quinazolin-4-yl]amino]benzamide 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-[[6-(1,3-thiazol-5-yl)-8-(trifluoromethyl)quinazolin-4-yl]amino]benzamide?
The IUPAC name of 4-[[6-(1,3-thiazol-5-yl)-8-(trifluoromethyl)quinazolin-4-yl]amino]benzamide (CID 118736875) is 4-[[6-(1,3-thiazol-5-yl)-8-(trifluoromethyl)quinazolin-4-yl]amino]benzamide.
What is the SMILES notation for 4-[[6-(1,3-thiazol-5-yl)-8-(trifluoromethyl)quinazolin-4-yl]amino]benzamide?
The canonical SMILES for 4-[[6-(1,3-thiazol-5-yl)-8-(trifluoromethyl)quinazolin-4-yl]amino]benzamide is NC(=O)c1ccc(Nc2ncnc3c(C(F)(F)F)cc(-c4cncs4)cc23)cc1.
What is the InChIKey of 4-[[6-(1,3-thiazol-5-yl)-8-(trifluoromethyl)quinazolin-4-yl]amino]benzamide?
The InChIKey is DMHJHSKVAFHFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3N5OS/c20-19(21,22)14-6-11(15-7-24-9-29-15)5-13-16(14)25-8-26-18(13)27-12-3-1-10(2-4-12)17(23)28/h1-9H,(H2,23,28)(H,25,26,27).
What are the key properties of 4-[[6-(1,3-thiazol-5-yl)-8-(trifluoromethyl)quinazolin-4-yl]amino]benzamide?
4-[[6-(1,3-thiazol-5-yl)-8-(trifluoromethyl)quinazolin-4-yl]amino]benzamide has a molecular weight of 415.40 g/mol, XLogP of 4.61, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(1,3-thiazol-5-yl)-8-(trifluoromethyl)quinazolin-4-yl]amino]benzamide is sourced from PubChem (CID 118736875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).