4-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]morpholine-3-carboxylic acid

C15H13F3N2O4S — CID 120521758

IUPAC4-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]morpholine-3-carboxylic acid
SMILESCc1c(C(=O)N2CCOCC2C(=O)O)sc2nc(C(F)(F)F)ccc12
InChIInChI=1S/C15H13F3N2O4S/c1-7-8-2-3-10(15(16,17)18)19-12(8)25-11(7)13(21)20-4-5-24-6-9(20)14(22)23/h2-3,9H,4-6H2,1H3,(H,22,23)
InChIKeyXOSOVCMQUOAIKY-UHFFFAOYSA-N
MW374.34 g/mol
LogP2.55
Rot. Bonds2

About 4-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]morpholine-3-carboxylic acid

4-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]morpholine-3-carboxylic acid (PubChem CID 120521758) has the molecular formula C15H13F3N2O4S and a molecular weight of 374.34 g/mol. Its IUPAC name is 4-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]morpholine-3-carboxylic acid
PubChem CID120521758
Molecular FormulaC15H13F3N2O4S
Molecular Weight374.34 g/mol
Exact Mass374.05
IUPAC Name4-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]morpholine-3-carboxylic acid
SMILESCc1c(C(=O)N2CCOCC2C(=O)O)sc2nc(C(F)(F)F)ccc12
InChIInChI=1S/C15H13F3N2O4S/c1-7-8-2-3-10(15(16,17)18)19-12(8)25-11(7)13(21)20-4-5-24-6-9(20)14(22)23/h2-3,9H,4-6H2,1H3,(H,22,23)
InChIKeyXOSOVCMQUOAIKY-UHFFFAOYSA-N
XLogP2.55
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.34
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-4-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]morpholine-3-carboxylic acid
CID 125133041
(2R,4R)-4-methoxy-1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 166313883
(2R,3R)-2-methyl-1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperidine-3-carboxylic acid
CID 122115521
(3S)-4-(3-methyl-1-benzothiophene-2-carbonyl)morpholine-3-carboxylic acid
CID 124513715
(2-methylpiperazin-1-yl)-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]methanone
CID 119473358
(3S)-1-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperidine-3-carboxylic acid
CID 99718237
4-(4-fluoro-3-methyl-1-benzothiophene-2-carbonyl)morpholine-3-carboxylic acid
CID 119216837
(3S)-4-(3-methylthiophene-2-carbonyl)morpholine-3-carboxylic acid
CID 124513592
4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)morpholine-3-carboxylic acid
CID 119215888
(3R)-4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)morpholine-3-carboxylic acid
CID 125150119
[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]methanone
CID 124613304
2-(4-fluorophenyl)-1-[4-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 55657560

Frequently Asked Questions

What is the IUPAC name of 4-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]morpholine-3-carboxylic acid?
The IUPAC name of 4-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]morpholine-3-carboxylic acid (CID 120521758) is 4-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]morpholine-3-carboxylic acid.
What is the SMILES notation for 4-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]morpholine-3-carboxylic acid?
The canonical SMILES for 4-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]morpholine-3-carboxylic acid is Cc1c(C(=O)N2CCOCC2C(=O)O)sc2nc(C(F)(F)F)ccc12.
What is the InChIKey of 4-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]morpholine-3-carboxylic acid?
The InChIKey is XOSOVCMQUOAIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O4S/c1-7-8-2-3-10(15(16,17)18)19-12(8)25-11(7)13(21)20-4-5-24-6-9(20)14(22)23/h2-3,9H,4-6H2,1H3,(H,22,23).
What are the key properties of 4-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]morpholine-3-carboxylic acid?
4-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]morpholine-3-carboxylic acid has a molecular weight of 374.34 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 120521758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).