N-[2-amino-2-(4-methylphenyl)ethyl]-2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide;2,2,2-trifluoroacetic acid

C19H21F3N4O3S2 — CID 166363506

IUPACN-[2-amino-2-(4-methylphenyl)ethyl]-2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1ccc(C(N)CNC(=O)c2cc3sc(N(C)C)nc3s2)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H20N4OS2.C2HF3O2/c1-10-4-6-11(7-5-10)12(18)9-19-15(22)13-8-14-16(23-13)20-17(24-14)21(2)3;3-2(4,5)1(6)7/h4-8,12H,9,18H2,1-3H3,(H,19,22);(H,6,7)
InChIKeyJLTQBDYQQXMWBA-UHFFFAOYSA-N
MW474.53 g/mol
LogP3.80
Rot. Bonds5

About N-[2-amino-2-(4-methylphenyl)ethyl]-2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide;2,2,2-trifluoroacetic acid

N-[2-amino-2-(4-methylphenyl)ethyl]-2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 166363506) has the molecular formula C19H21F3N4O3S2 and a molecular weight of 474.53 g/mol. Its IUPAC name is N-[2-amino-2-(4-methylphenyl)ethyl]-2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[2-amino-2-(4-methylphenyl)ethyl]-2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID166363506
Molecular FormulaC19H21F3N4O3S2
Molecular Weight474.53 g/mol
Exact Mass474.10
IUPAC NameN-[2-amino-2-(4-methylphenyl)ethyl]-2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1ccc(C(N)CNC(=O)c2cc3sc(N(C)C)nc3s2)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H20N4OS2.C2HF3O2/c1-10-4-6-11(7-5-10)12(18)9-19-15(22)13-8-14-16(23-13)20-17(24-14)21(2)3;3-2(4,5)1(6)7/h4-8,12H,9,18H2,1-3H3,(H,19,22);(H,6,7)
InChIKeyJLTQBDYQQXMWBA-UHFFFAOYSA-N
XLogP3.80
TPSA108.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.53
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[2-amino-2-(4-methylphenyl)ethyl]-2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide;2,2,2-trifluoroacetic acid 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 N-[2-amino-2-(4-methylphenyl)ethyl]-2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[2-amino-2-(4-methylphenyl)ethyl]-2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide;2,2,2-trifluoroacetic acid (CID 166363506) is N-[2-amino-2-(4-methylphenyl)ethyl]-2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[2-amino-2-(4-methylphenyl)ethyl]-2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[2-amino-2-(4-methylphenyl)ethyl]-2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide;2,2,2-trifluoroacetic acid is Cc1ccc(C(N)CNC(=O)c2cc3sc(N(C)C)nc3s2)cc1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[2-amino-2-(4-methylphenyl)ethyl]-2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is JLTQBDYQQXMWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4OS2.C2HF3O2/c1-10-4-6-11(7-5-10)12(18)9-19-15(22)13-8-14-16(23-13)20-17(24-14)21(2)3;3-2(4,5)1(6)7/h4-8,12H,9,18H2,1-3H3,(H,19,22);(H,6,7).
What are the key properties of N-[2-amino-2-(4-methylphenyl)ethyl]-2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide;2,2,2-trifluoroacetic acid?
N-[2-amino-2-(4-methylphenyl)ethyl]-2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 474.53 g/mol, XLogP of 3.80, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-2-(4-methylphenyl)ethyl]-2-(dimethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 166363506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).