5-(2-aminoquinazolin-6-yl)-N-[2-[3-(dimethylamino)propyl-methylamino]-5-(trifluoromethyl)phenyl]thiophene-3-carboxamide

C26H27F3N6OS — CID 58829730

IUPAC5-(2-aminoquinazolin-6-yl)-N-[2-[3-(dimethylamino)propyl-methylamino]-5-(trifluoromethyl)phenyl]thiophene-3-carboxamide
SMILESCN(C)CCCN(C)c1ccc(C(F)(F)F)cc1NC(=O)c1csc(-c2ccc3nc(N)ncc3c2)c1
InChIInChI=1S/C26H27F3N6OS/c1-34(2)9-4-10-35(3)22-8-6-19(26(27,28)29)13-21(22)32-24(36)18-12-23(37-15-18)16-5-7-20-17(11-16)14-31-25(30)33-20/h5-8,11-15H,4,9-10H2,1-3H3,(H,32,36)(H2,30,31,33)
InChIKeyUYGQMIHYEJAPQQ-UHFFFAOYSA-N
MW528.60 g/mol
LogP5.60
Rot. Bonds8

About 5-(2-aminoquinazolin-6-yl)-N-[2-[3-(dimethylamino)propyl-methylamino]-5-(trifluoromethyl)phenyl]thiophene-3-carboxamide

5-(2-aminoquinazolin-6-yl)-N-[2-[3-(dimethylamino)propyl-methylamino]-5-(trifluoromethyl)phenyl]thiophene-3-carboxamide (PubChem CID 58829730) has the molecular formula C26H27F3N6OS and a molecular weight of 528.60 g/mol. Its IUPAC name is 5-(2-aminoquinazolin-6-yl)-N-[2-[3-(dimethylamino)propyl-methylamino]-5-(trifluoromethyl)phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-(2-aminoquinazolin-6-yl)-N-[2-[3-(dimethylamino)propyl-methylamino]-5-(trifluoromethyl)phenyl]thiophene-3-carboxamide
PubChem CID58829730
Molecular FormulaC26H27F3N6OS
Molecular Weight528.60 g/mol
Exact Mass528.19
IUPAC Name5-(2-aminoquinazolin-6-yl)-N-[2-[3-(dimethylamino)propyl-methylamino]-5-(trifluoromethyl)phenyl]thiophene-3-carboxamide
SMILESCN(C)CCCN(C)c1ccc(C(F)(F)F)cc1NC(=O)c1csc(-c2ccc3nc(N)ncc3c2)c1
InChIInChI=1S/C26H27F3N6OS/c1-34(2)9-4-10-35(3)22-8-6-19(26(27,28)29)13-21(22)32-24(36)18-12-23(37-15-18)16-5-7-20-17(11-16)14-31-25(30)33-20/h5-8,11-15H,4,9-10H2,1-3H3,(H,32,36)(H2,30,31,33)
InChIKeyUYGQMIHYEJAPQQ-UHFFFAOYSA-N
XLogP5.60
TPSA87.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.60
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-(2-aminoquinazolin-6-yl)-N-[2-[3-(dimethylamino)propyl-methylamino]-5-(trifluoromethyl)phenyl]thiophene-3-carboxamide 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 5-(2-aminoquinazolin-6-yl)-N-[2-[3-(dimethylamino)propyl-methylamino]-5-(trifluoromethyl)phenyl]thiophene-3-carboxamide?
The IUPAC name of 5-(2-aminoquinazolin-6-yl)-N-[2-[3-(dimethylamino)propyl-methylamino]-5-(trifluoromethyl)phenyl]thiophene-3-carboxamide (CID 58829730) is 5-(2-aminoquinazolin-6-yl)-N-[2-[3-(dimethylamino)propyl-methylamino]-5-(trifluoromethyl)phenyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-(2-aminoquinazolin-6-yl)-N-[2-[3-(dimethylamino)propyl-methylamino]-5-(trifluoromethyl)phenyl]thiophene-3-carboxamide?
The canonical SMILES for 5-(2-aminoquinazolin-6-yl)-N-[2-[3-(dimethylamino)propyl-methylamino]-5-(trifluoromethyl)phenyl]thiophene-3-carboxamide is CN(C)CCCN(C)c1ccc(C(F)(F)F)cc1NC(=O)c1csc(-c2ccc3nc(N)ncc3c2)c1.
What is the InChIKey of 5-(2-aminoquinazolin-6-yl)-N-[2-[3-(dimethylamino)propyl-methylamino]-5-(trifluoromethyl)phenyl]thiophene-3-carboxamide?
The InChIKey is UYGQMIHYEJAPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N6OS/c1-34(2)9-4-10-35(3)22-8-6-19(26(27,28)29)13-21(22)32-24(36)18-12-23(37-15-18)16-5-7-20-17(11-16)14-31-25(30)33-20/h5-8,11-15H,4,9-10H2,1-3H3,(H,32,36)(H2,30,31,33).
What are the key properties of 5-(2-aminoquinazolin-6-yl)-N-[2-[3-(dimethylamino)propyl-methylamino]-5-(trifluoromethyl)phenyl]thiophene-3-carboxamide?
5-(2-aminoquinazolin-6-yl)-N-[2-[3-(dimethylamino)propyl-methylamino]-5-(trifluoromethyl)phenyl]thiophene-3-carboxamide has a molecular weight of 528.60 g/mol, XLogP of 5.60, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoquinazolin-6-yl)-N-[2-[3-(dimethylamino)propyl-methylamino]-5-(trifluoromethyl)phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 58829730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).