3-[[4-(thiophen-2-ylmethylamino)quinazolin-2-yl]amino]benzamide

C20H17N5OS — CID 155540250

IUPAC3-[[4-(thiophen-2-ylmethylamino)quinazolin-2-yl]amino]benzamide
SMILESNC(=O)c1cccc(Nc2nc(NCc3cccs3)c3ccccc3n2)c1
InChIInChI=1S/C20H17N5OS/c21-18(26)13-5-3-6-14(11-13)23-20-24-17-9-2-1-8-16(17)19(25-20)22-12-15-7-4-10-27-15/h1-11H,12H2,(H2,21,26)(H2,22,23,24,25)
InChIKeyGRYSLETWCZXACO-UHFFFAOYSA-N
MW375.46 g/mol
LogP4.15
Rot. Bonds6

About 3-[[4-(thiophen-2-ylmethylamino)quinazolin-2-yl]amino]benzamide

3-[[4-(thiophen-2-ylmethylamino)quinazolin-2-yl]amino]benzamide (PubChem CID 155540250) has the molecular formula C20H17N5OS and a molecular weight of 375.46 g/mol. Its IUPAC name is 3-[[4-(thiophen-2-ylmethylamino)quinazolin-2-yl]amino]benzamide.

Molecular Properties

Compound Name3-[[4-(thiophen-2-ylmethylamino)quinazolin-2-yl]amino]benzamide
PubChem CID155540250
Molecular FormulaC20H17N5OS
Molecular Weight375.46 g/mol
Exact Mass375.12
IUPAC Name3-[[4-(thiophen-2-ylmethylamino)quinazolin-2-yl]amino]benzamide
SMILESNC(=O)c1cccc(Nc2nc(NCc3cccs3)c3ccccc3n2)c1
InChIInChI=1S/C20H17N5OS/c21-18(26)13-5-3-6-14(11-13)23-20-24-17-9-2-1-8-16(17)19(25-20)22-12-15-7-4-10-27-15/h1-11H,12H2,(H2,21,26)(H2,22,23,24,25)
InChIKeyGRYSLETWCZXACO-UHFFFAOYSA-N
XLogP4.15
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.46
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[[4-(thiophen-2-ylmethylamino)quinazolin-2-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

Related Compounds

Benzyl-(2-thiophen-2-yl-quinazolin-4-yl)-amine
CID 2573787
(1S,2S,3R,4R)-3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]thieno[3,2-d]pyrimidin-4-yl]amino]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 164607234
N-[2-(diethylamino)-4-methylquinolin-6-yl]thiophene-2-carboxamide
CID 5186884
N-(4,6-dimethylpyridin-2-yl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
CID 1220150
N-(2-aminophenyl)-4-((4-(thiophen-3-yl)pyrimidin-2-ylamino)methyl)benzamide
CID 44570892
4-(4-aminophenyl)sulfanyl-3-[(7-isopropylpyrido[2,3-d]pyrimidin-4-yl)amino]-N-[1-(2-thienyl)ethyl]benzamide
CID 67040765
N-[2-Amino-5-(2-thienyl)phenyl]-2-(1-piperazinyl)-6-quinolinecarboxamide
CID 72374405
N-[3-(11H-indolo[3,2-c]quinolin-6-ylamino)propyl]thiophene-2-carboxamide
CID 90676210
(1r,4r)-4-(((4-(Benzo[b]thiophen-3-yl)-6-(benzylamino)pyrimidin-2-yl)amino)methyl)cyclohexanecarboxamide
CID 101910777
N-[3-[(5-methylindolo[2,3-b]quinolin-11-yl)amino]propyl]thiophene-2-carboxamide
CID 136244898
TLR7 agonist 1
CID 137628641
N-[2-[4-[[(2,4-diaminoquinazolin-6-yl)amino]methyl]phenyl]ethyl]thiophene-2-carboxamide
CID 141482984

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(thiophen-2-ylmethylamino)quinazolin-2-yl]amino]benzamide?
The IUPAC name of 3-[[4-(thiophen-2-ylmethylamino)quinazolin-2-yl]amino]benzamide (CID 155540250) is 3-[[4-(thiophen-2-ylmethylamino)quinazolin-2-yl]amino]benzamide.
What is the SMILES notation for 3-[[4-(thiophen-2-ylmethylamino)quinazolin-2-yl]amino]benzamide?
The canonical SMILES for 3-[[4-(thiophen-2-ylmethylamino)quinazolin-2-yl]amino]benzamide is NC(=O)c1cccc(Nc2nc(NCc3cccs3)c3ccccc3n2)c1.
What is the InChIKey of 3-[[4-(thiophen-2-ylmethylamino)quinazolin-2-yl]amino]benzamide?
The InChIKey is GRYSLETWCZXACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5OS/c21-18(26)13-5-3-6-14(11-13)23-20-24-17-9-2-1-8-16(17)19(25-20)22-12-15-7-4-10-27-15/h1-11H,12H2,(H2,21,26)(H2,22,23,24,25).
What are the key properties of 3-[[4-(thiophen-2-ylmethylamino)quinazolin-2-yl]amino]benzamide?
3-[[4-(thiophen-2-ylmethylamino)quinazolin-2-yl]amino]benzamide has a molecular weight of 375.46 g/mol, XLogP of 4.15, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(thiophen-2-ylmethylamino)quinazolin-2-yl]amino]benzamide is sourced from PubChem (CID 155540250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).