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

C14H13F3N2O3S — CID 120523286

IUPAC2-[[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]butanoic acid
SMILESCCC(NC(=O)c1sc2nc(C(F)(F)F)ccc2c1C)C(=O)O
InChIInChI=1S/C14H13F3N2O3S/c1-3-8(13(21)22)18-11(20)10-6(2)7-4-5-9(14(15,16)17)19-12(7)23-10/h4-5,8H,3H2,1-2H3,(H,18,20)(H,21,22)
InChIKeyJGYISXPYVQEXSW-UHFFFAOYSA-N
MW346.33 g/mol
LogP3.22
Rot. Bonds4

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

2-[[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]butanoic acid (PubChem CID 120523286) has the molecular formula C14H13F3N2O3S and a molecular weight of 346.33 g/mol. Its IUPAC name is 2-[[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name2-[[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]butanoic acid
PubChem CID120523286
Molecular FormulaC14H13F3N2O3S
Molecular Weight346.33 g/mol
Exact Mass346.06
IUPAC Name2-[[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]butanoic acid
SMILESCCC(NC(=O)c1sc2nc(C(F)(F)F)ccc2c1C)C(=O)O
InChIInChI=1S/C14H13F3N2O3S/c1-3-8(13(21)22)18-11(20)10-6(2)7-4-5-9(14(15,16)17)19-12(7)23-10/h4-5,8H,3H2,1-2H3,(H,18,20)(H,21,22)
InChIKeyJGYISXPYVQEXSW-UHFFFAOYSA-N
XLogP3.22
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.33
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-methyl-2-[[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]butanoic acid
CID 119359928
3-[[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]propanoic acid
CID 119351125
N-(2-anilino-2-oxo-1-phenylethyl)-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 55779329
2-methyl-2-[[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]pentanoic acid
CID 120516988
3-methyl-N-[2-(methylamino)propyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 120831160
3-methyl-N-[2-(methylamino)-2-oxoethyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 37126044
4-methyl-4-[[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]pentanoic acid
CID 119357367
3-methyl-N-phenylmethoxy-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 51113674
3-methyl-6-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide
CID 36995856
N-[2-(cyclopropanecarbonylamino)ethyl]-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 37001975
3-amino-N-ethyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 79880499
N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 55653699

Frequently Asked Questions

What is the IUPAC name of 2-[[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]butanoic acid?
The IUPAC name of 2-[[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]butanoic acid (CID 120523286) is 2-[[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]butanoic acid.
What is the SMILES notation for 2-[[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]butanoic acid?
The canonical SMILES for 2-[[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]butanoic acid is CCC(NC(=O)c1sc2nc(C(F)(F)F)ccc2c1C)C(=O)O.
What is the InChIKey of 2-[[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]butanoic acid?
The InChIKey is JGYISXPYVQEXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O3S/c1-3-8(13(21)22)18-11(20)10-6(2)7-4-5-9(14(15,16)17)19-12(7)23-10/h4-5,8H,3H2,1-2H3,(H,18,20)(H,21,22).
What are the key properties of 2-[[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]butanoic acid?
2-[[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]butanoic acid has a molecular weight of 346.33 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]butanoic acid is sourced from PubChem (CID 120523286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).