3-amino-4-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide

C12H12F3N3OS2 — CID 106433622

IUPAC3-amino-4-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccnc2sc(C(=O)NCCSC(F)(F)F)c(N)c12
InChIInChI=1S/C12H12F3N3OS2/c1-6-2-3-18-11-7(6)8(16)9(21-11)10(19)17-4-5-20-12(13,14)15/h2-3H,4-5,16H2,1H3,(H,17,19)
InChIKeyQLWNSQKYVOTARE-UHFFFAOYSA-N
MW335.38 g/mol
LogP3.17
Rot. Bonds4

About 3-amino-4-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide

3-amino-4-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 106433622) has the molecular formula C12H12F3N3OS2 and a molecular weight of 335.38 g/mol. Its IUPAC name is 3-amino-4-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID106433622
Molecular FormulaC12H12F3N3OS2
Molecular Weight335.38 g/mol
Exact Mass335.04
IUPAC Name3-amino-4-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccnc2sc(C(=O)NCCSC(F)(F)F)c(N)c12
InChIInChI=1S/C12H12F3N3OS2/c1-6-2-3-18-11-7(6)8(16)9(21-11)10(19)17-4-5-20-12(13,14)15/h2-3H,4-5,16H2,1H3,(H,17,19)
InChIKeyQLWNSQKYVOTARE-UHFFFAOYSA-N
XLogP3.17
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-methyl-N-(5-methylhexyl)thieno[2,3-b]pyridine-2-carboxamide
CID 115327426
3-amino-N-(3-hydroxy-2,2-dimethylpropyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide
CID 115366285
1-(3-amino-4-methylthieno[2,3-b]pyridin-2-yl)ethanone
CID 82395893
3-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-methylthieno[2,3-b]pyridine-2-carboxamide
CID 106098617
3-amino-N-(3,4-dimethylphenyl)-4-methylthieno[2,3-b]pyridine-2-carboxamide
CID 171133101
4-amino-6-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide
CID 114188312
3-amino-N-(2-hydroxyethyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 14510410
3-amino-4,6-dimethyl-N-(2-phenylethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 707443
5-amino-2-propan-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-4-carboxamide
CID 106432982
4-amino-2-[methyl(propyl)amino]-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazole-5-carboxamide
CID 106434208
3-amino-N-(2-aminoethyl)-4-methyl-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 102267908
2-fluoro-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide
CID 107358720

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-4-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide (CID 106433622) is 3-amino-4-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-4-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-4-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide is Cc1ccnc2sc(C(=O)NCCSC(F)(F)F)c(N)c12.
What is the InChIKey of 3-amino-4-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is QLWNSQKYVOTARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3OS2/c1-6-2-3-18-11-7(6)8(16)9(21-11)10(19)17-4-5-20-12(13,14)15/h2-3H,4-5,16H2,1H3,(H,17,19).
What are the key properties of 3-amino-4-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide?
3-amino-4-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 335.38 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 106433622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).