7-(methylamino)-N-propyl-3-(trifluoromethyl)thieno[2,3-b]pyrazine-6-carboxamide

C12H13F3N4OS — CID 177260606

IUPAC7-(methylamino)-N-propyl-3-(trifluoromethyl)thieno[2,3-b]pyrazine-6-carboxamide
SMILESCCCNC(=O)c1sc2nc(C(F)(F)F)cnc2c1NC
InChIInChI=1S/C12H13F3N4OS/c1-3-4-17-10(20)9-7(16-2)8-11(21-9)19-6(5-18-8)12(13,14)15/h5,16H,3-4H2,1-2H3,(H,17,20)
InChIKeyFRYIHRGBEBLQSH-UHFFFAOYSA-N
MW318.32 g/mol
LogP2.89
Rot. Bonds4

About 7-(methylamino)-N-propyl-3-(trifluoromethyl)thieno[2,3-b]pyrazine-6-carboxamide

7-(methylamino)-N-propyl-3-(trifluoromethyl)thieno[2,3-b]pyrazine-6-carboxamide (PubChem CID 177260606) has the molecular formula C12H13F3N4OS and a molecular weight of 318.32 g/mol. Its IUPAC name is 7-(methylamino)-N-propyl-3-(trifluoromethyl)thieno[2,3-b]pyrazine-6-carboxamide.

Molecular Properties

Compound Name7-(methylamino)-N-propyl-3-(trifluoromethyl)thieno[2,3-b]pyrazine-6-carboxamide
PubChem CID177260606
Molecular FormulaC12H13F3N4OS
Molecular Weight318.32 g/mol
Exact Mass318.08
IUPAC Name7-(methylamino)-N-propyl-3-(trifluoromethyl)thieno[2,3-b]pyrazine-6-carboxamide
SMILESCCCNC(=O)c1sc2nc(C(F)(F)F)cnc2c1NC
InChIInChI=1S/C12H13F3N4OS/c1-3-4-17-10(20)9-7(16-2)8-11(21-9)19-6(5-18-8)12(13,14)15/h5,16H,3-4H2,1-2H3,(H,17,20)
InChIKeyFRYIHRGBEBLQSH-UHFFFAOYSA-N
XLogP2.89
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-(methylamino)-N-propyl-3-(trifluoromethyl)thieno[2,3-b]pyrazine-6-carboxamide 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

7-amino-N-[2-(2,5-difluoro-4-piperazin-1-ylphenyl)ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
CID 145958090
7-amino-N-[2-(2,5-difluoro-4-piperazin-1-ylphenyl)ethyl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;hydrochloride
CID 155561034
US12304916, Example 18
CID 155590280
US20250154162, Example 37
CID 176733477
US20250154162, Example 49
CID 176733489
US20250154162, Example 50
CID 176733490
7-Aminothieno[2,3-b]pyrazine-6-carbaldehyde
CID 25228189
Ethyl 7-(2,2,2-trifluoroacetamido)thieno[2,3-b]pyrazine-6-carboxylate
CID 86680160
7-(2,2,2-trifluoro-N-methylacetamido)thieno[2,3-b]pyrazine-6-carboxylate
CID 86680162
7-(N-ethyl-2,2,2-trifluoroacetamido)thieno[2,3-b]pyrazine-6-carboxylate
CID 86680171
7-[Ethyl-(2,2,2-trifluoroacetyl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid
CID 86680172
Ethane;7-[(2,2,2-trifluoroacetyl)amino]thieno[2,3-b]pyrazine-6-carboxylic acid
CID 144284957

Frequently Asked Questions

What is the IUPAC name of 7-(methylamino)-N-propyl-3-(trifluoromethyl)thieno[2,3-b]pyrazine-6-carboxamide?
The IUPAC name of 7-(methylamino)-N-propyl-3-(trifluoromethyl)thieno[2,3-b]pyrazine-6-carboxamide (CID 177260606) is 7-(methylamino)-N-propyl-3-(trifluoromethyl)thieno[2,3-b]pyrazine-6-carboxamide.
What is the SMILES notation for 7-(methylamino)-N-propyl-3-(trifluoromethyl)thieno[2,3-b]pyrazine-6-carboxamide?
The canonical SMILES for 7-(methylamino)-N-propyl-3-(trifluoromethyl)thieno[2,3-b]pyrazine-6-carboxamide is CCCNC(=O)c1sc2nc(C(F)(F)F)cnc2c1NC.
What is the InChIKey of 7-(methylamino)-N-propyl-3-(trifluoromethyl)thieno[2,3-b]pyrazine-6-carboxamide?
The InChIKey is FRYIHRGBEBLQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4OS/c1-3-4-17-10(20)9-7(16-2)8-11(21-9)19-6(5-18-8)12(13,14)15/h5,16H,3-4H2,1-2H3,(H,17,20).
What are the key properties of 7-(methylamino)-N-propyl-3-(trifluoromethyl)thieno[2,3-b]pyrazine-6-carboxamide?
7-(methylamino)-N-propyl-3-(trifluoromethyl)thieno[2,3-b]pyrazine-6-carboxamide has a molecular weight of 318.32 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(methylamino)-N-propyl-3-(trifluoromethyl)thieno[2,3-b]pyrazine-6-carboxamide is sourced from PubChem (CID 177260606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).