3-amino-4,6-dimethyl-N-(3,3,3-trifluoropropyl)thieno[3,2-c]pyridine-2-carboxamide

C13H14F3N3OS — CID 81037438

IUPAC3-amino-4,6-dimethyl-N-(3,3,3-trifluoropropyl)thieno[3,2-c]pyridine-2-carboxamide
SMILESCc1cc2sc(C(=O)NCCC(F)(F)F)c(N)c2c(C)n1
InChIInChI=1S/C13H14F3N3OS/c1-6-5-8-9(7(2)19-6)10(17)11(21-8)12(20)18-4-3-13(14,15)16/h5H,3-4,17H2,1-2H3,(H,18,20)
InChIKeySSGFJQKJUFGYEV-UHFFFAOYSA-N
MW317.34 g/mol
LogP3.18
Rot. Bonds3

About 3-amino-4,6-dimethyl-N-(3,3,3-trifluoropropyl)thieno[3,2-c]pyridine-2-carboxamide

3-amino-4,6-dimethyl-N-(3,3,3-trifluoropropyl)thieno[3,2-c]pyridine-2-carboxamide (PubChem CID 81037438) has the molecular formula C13H14F3N3OS and a molecular weight of 317.34 g/mol. Its IUPAC name is 3-amino-4,6-dimethyl-N-(3,3,3-trifluoropropyl)thieno[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-4,6-dimethyl-N-(3,3,3-trifluoropropyl)thieno[3,2-c]pyridine-2-carboxamide
PubChem CID81037438
Molecular FormulaC13H14F3N3OS
Molecular Weight317.34 g/mol
Exact Mass317.08
IUPAC Name3-amino-4,6-dimethyl-N-(3,3,3-trifluoropropyl)thieno[3,2-c]pyridine-2-carboxamide
SMILESCc1cc2sc(C(=O)NCCC(F)(F)F)c(N)c2c(C)n1
InChIInChI=1S/C13H14F3N3OS/c1-6-5-8-9(7(2)19-6)10(17)11(21-8)12(20)18-4-3-13(14,15)16/h5H,3-4,17H2,1-2H3,(H,18,20)
InChIKeySSGFJQKJUFGYEV-UHFFFAOYSA-N
XLogP3.18
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(2,2-difluoro-3-hydroxypropyl)-4,6-dimethylthieno[3,2-c]pyridine-2-carboxamide
CID 106174323
2-[(3-amino-4,6-dimethylthieno[3,2-c]pyridine-2-carbonyl)amino]ethyl carbamate
CID 83206282
3-amino-4,6-dimethyl-N-[3-(methylamino)propyl]thieno[3,2-c]pyridine-2-carboxamide
CID 81053330
3-amino-N-(5-hydroxypentyl)-4,6-dimethylthieno[3,2-c]pyridine-2-carboxamide
CID 107323848
3-amino-4,6-dimethyl-N-prop-2-enylthieno[3,2-c]pyridine-2-carboxamide
CID 81052779
3-amino-4,6-dimethyl-N-(2-methylbutyl)thieno[3,2-c]pyridine-2-carboxamide
CID 81052861
3-amino-4,6-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)thieno[3,2-c]pyridine-2-carboxamide
CID 81038201
3-amino-4,6-dimethyl-N-(thiolan-2-ylmethyl)thieno[3,2-c]pyridine-2-carboxamide
CID 81036990
3-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-4,6-dimethylthieno[3,2-c]pyridine-2-carboxamide
CID 81037428
3-amino-4,6-dimethyl-N-pentan-2-ylthieno[3,2-c]pyridine-2-carboxamide
CID 81053012
3-amino-N,4,6-trimethyl-N-[2-(methylamino)ethyl]thieno[3,2-c]pyridine-2-carboxamide
CID 81053407
3-amino-4,6-dimethyl-N,N-dipropylthieno[3,2-c]pyridine-2-carboxamide
CID 81036761

Frequently Asked Questions

What is the IUPAC name of 3-amino-4,6-dimethyl-N-(3,3,3-trifluoropropyl)thieno[3,2-c]pyridine-2-carboxamide?
The IUPAC name of 3-amino-4,6-dimethyl-N-(3,3,3-trifluoropropyl)thieno[3,2-c]pyridine-2-carboxamide (CID 81037438) is 3-amino-4,6-dimethyl-N-(3,3,3-trifluoropropyl)thieno[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-4,6-dimethyl-N-(3,3,3-trifluoropropyl)thieno[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-4,6-dimethyl-N-(3,3,3-trifluoropropyl)thieno[3,2-c]pyridine-2-carboxamide is Cc1cc2sc(C(=O)NCCC(F)(F)F)c(N)c2c(C)n1.
What is the InChIKey of 3-amino-4,6-dimethyl-N-(3,3,3-trifluoropropyl)thieno[3,2-c]pyridine-2-carboxamide?
The InChIKey is SSGFJQKJUFGYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3OS/c1-6-5-8-9(7(2)19-6)10(17)11(21-8)12(20)18-4-3-13(14,15)16/h5H,3-4,17H2,1-2H3,(H,18,20).
What are the key properties of 3-amino-4,6-dimethyl-N-(3,3,3-trifluoropropyl)thieno[3,2-c]pyridine-2-carboxamide?
3-amino-4,6-dimethyl-N-(3,3,3-trifluoropropyl)thieno[3,2-c]pyridine-2-carboxamide has a molecular weight of 317.34 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,6-dimethyl-N-(3,3,3-trifluoropropyl)thieno[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 81037438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).