2-methyl-2-[methyl-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]propanoic acid

C15H15F3N2O3S — CID 120518773

IUPAC2-methyl-2-[methyl-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]propanoic acid
SMILESCc1c(C(=O)N(C)C(C)(C)C(=O)O)sc2nc(C(F)(F)F)ccc12
InChIInChI=1S/C15H15F3N2O3S/c1-7-8-5-6-9(15(16,17)18)19-11(8)24-10(7)12(21)20(4)14(2,3)13(22)23/h5-6H,1-4H3,(H,22,23)
InChIKeyPKLKUNHWDWYRME-UHFFFAOYSA-N
MW360.36 g/mol
LogP3.56
Rot. Bonds3

About 2-methyl-2-[methyl-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]propanoic acid

2-methyl-2-[methyl-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]propanoic acid (PubChem CID 120518773) has the molecular formula C15H15F3N2O3S and a molecular weight of 360.36 g/mol. Its IUPAC name is 2-methyl-2-[methyl-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[methyl-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]propanoic acid
PubChem CID120518773
Molecular FormulaC15H15F3N2O3S
Molecular Weight360.36 g/mol
Exact Mass360.08
IUPAC Name2-methyl-2-[methyl-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]propanoic acid
SMILESCc1c(C(=O)N(C)C(C)(C)C(=O)O)sc2nc(C(F)(F)F)ccc12
InChIInChI=1S/C15H15F3N2O3S/c1-7-8-5-6-9(15(16,17)18)19-11(8)24-10(7)12(21)20(4)14(2,3)13(22)23/h5-6H,1-4H3,(H,22,23)
InChIKeyPKLKUNHWDWYRME-UHFFFAOYSA-N
XLogP3.56
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]propanoic acid
CID 119351125
4-methyl-4-[[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]pentanoic acid
CID 119357367
2-methyl-2-[[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]pentanoic acid
CID 120516988
(2S)-3-methyl-2-[[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]butanoic acid
CID 119359928
3-methyl-N-[2-(methylamino)-2-oxoethyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 37126044
N-[2-(cyclopropanecarbonylamino)ethyl]-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 37001975
3-methyl-6-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide
CID 36995856
2-[[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]butanoic acid
CID 120523286
3-methyl-N-[2-(methylamino)propyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 120831160
3-methyl-N-phenylmethoxy-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 51113674
3-amino-N',N'-dimethyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbohydrazide
CID 83024536
N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N,3-dimethyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 55866760

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]propanoic acid?
The IUPAC name of 2-methyl-2-[methyl-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]propanoic acid (CID 120518773) is 2-methyl-2-[methyl-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[methyl-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[methyl-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]propanoic acid is Cc1c(C(=O)N(C)C(C)(C)C(=O)O)sc2nc(C(F)(F)F)ccc12.
What is the InChIKey of 2-methyl-2-[methyl-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]propanoic acid?
The InChIKey is PKLKUNHWDWYRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O3S/c1-7-8-5-6-9(15(16,17)18)19-11(8)24-10(7)12(21)20(4)14(2,3)13(22)23/h5-6H,1-4H3,(H,22,23).
What are the key properties of 2-methyl-2-[methyl-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]propanoic acid?
2-methyl-2-[methyl-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]propanoic acid has a molecular weight of 360.36 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]propanoic acid is sourced from PubChem (CID 120518773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).