4-[methyl(thieno[3,2-c]pyridin-4-yl)amino]oxolane-3-carboxylic acid

C13H14N2O3S — CID 66237388

IUPAC4-[methyl(thieno[3,2-c]pyridin-4-yl)amino]oxolane-3-carboxylic acid
SMILESCN(c1nccc2sccc12)C1COCC1C(=O)O
InChIInChI=1S/C13H14N2O3S/c1-15(10-7-18-6-9(10)13(16)17)12-8-3-5-19-11(8)2-4-14-12/h2-5,9-10H,6-7H2,1H3,(H,16,17)
InChIKeyNEMIIZLLIJMFKP-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.83
Rot. Bonds3

About 4-[methyl(thieno[3,2-c]pyridin-4-yl)amino]oxolane-3-carboxylic acid

4-[methyl(thieno[3,2-c]pyridin-4-yl)amino]oxolane-3-carboxylic acid (PubChem CID 66237388) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is 4-[methyl(thieno[3,2-c]pyridin-4-yl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[methyl(thieno[3,2-c]pyridin-4-yl)amino]oxolane-3-carboxylic acid
PubChem CID66237388
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name4-[methyl(thieno[3,2-c]pyridin-4-yl)amino]oxolane-3-carboxylic acid
SMILESCN(c1nccc2sccc12)C1COCC1C(=O)O
InChIInChI=1S/C13H14N2O3S/c1-15(10-7-18-6-9(10)13(16)17)12-8-3-5-19-11(8)2-4-14-12/h2-5,9-10H,6-7H2,1H3,(H,16,17)
InChIKeyNEMIIZLLIJMFKP-UHFFFAOYSA-N
XLogP1.83
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[methyl(quinazolin-4-yl)amino]oxolane-3-carboxylic acid
CID 66235767
4-[methyl(1,3,4-thiadiazol-2-yl)amino]oxolane-3-carboxylic acid
CID 66236176
4-[methyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]oxolane-3-carboxylic acid
CID 66235368
4-[methyl-(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]oxolane-3-carboxylic acid
CID 102686010
4-[methyl-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]oxolane-3-carboxylic acid
CID 66235387
4-[methyl(1,3-thiazol-5-ylmethyl)amino]oxolane-3-carboxylic acid
CID 112641436
4-[methyl(thieno[3,2-c]pyridin-4-yl)amino]butanoic acid
CID 43522697
4-[[4-(dimethylamino)benzoyl]-methylamino]oxolane-3-carboxylic acid
CID 66235943
4-[[2-(dimethylamino)pyrimidin-4-yl]-ethylamino]oxolane-3-carboxylic acid
CID 66246649
4-[methyl-[5-(trifluoromethyl)-2-pyridinyl]amino]oxolane-3-carboxylic acid
CID 66235369
4-[(5-cyano-2-pyridinyl)-methylamino]oxolane-3-carboxylic acid
CID 66238193
4-[methyl(7H-purin-6-yl)amino]oxolane-3-carboxylic acid
CID 66237387

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(thieno[3,2-c]pyridin-4-yl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[methyl(thieno[3,2-c]pyridin-4-yl)amino]oxolane-3-carboxylic acid (CID 66237388) is 4-[methyl(thieno[3,2-c]pyridin-4-yl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[methyl(thieno[3,2-c]pyridin-4-yl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[methyl(thieno[3,2-c]pyridin-4-yl)amino]oxolane-3-carboxylic acid is CN(c1nccc2sccc12)C1COCC1C(=O)O.
What is the InChIKey of 4-[methyl(thieno[3,2-c]pyridin-4-yl)amino]oxolane-3-carboxylic acid?
The InChIKey is NEMIIZLLIJMFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-15(10-7-18-6-9(10)13(16)17)12-8-3-5-19-11(8)2-4-14-12/h2-5,9-10H,6-7H2,1H3,(H,16,17).
What are the key properties of 4-[methyl(thieno[3,2-c]pyridin-4-yl)amino]oxolane-3-carboxylic acid?
4-[methyl(thieno[3,2-c]pyridin-4-yl)amino]oxolane-3-carboxylic acid has a molecular weight of 278.33 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(thieno[3,2-c]pyridin-4-yl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66237388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).