5-(3-amino-4,6-dimethyl-2-pyridinyl)thiophene-2-carboxylic acid

C12H12N2O2S — CID 18801314

IUPAC5-(3-amino-4,6-dimethyl-2-pyridinyl)thiophene-2-carboxylic acid
SMILESCc1cc(C)c(N)c(-c2ccc(C(=O)O)s2)n1
InChIInChI=1S/C12H12N2O2S/c1-6-5-7(2)14-11(10(6)13)8-3-4-9(17-8)12(15)16/h3-5H,13H2,1-2H3,(H,15,16)
InChIKeyNNPFYRVAYMPQHE-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.71
Rot. Bonds2

About 5-(3-amino-4,6-dimethyl-2-pyridinyl)thiophene-2-carboxylic acid

5-(3-amino-4,6-dimethyl-2-pyridinyl)thiophene-2-carboxylic acid (PubChem CID 18801314) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is 5-(3-amino-4,6-dimethyl-2-pyridinyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-amino-4,6-dimethyl-2-pyridinyl)thiophene-2-carboxylic acid
PubChem CID18801314
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name5-(3-amino-4,6-dimethyl-2-pyridinyl)thiophene-2-carboxylic acid
SMILESCc1cc(C)c(N)c(-c2ccc(C(=O)O)s2)n1
InChIInChI=1S/C12H12N2O2S/c1-6-5-7(2)14-11(10(6)13)8-3-4-9(17-8)12(15)16/h3-5H,13H2,1-2H3,(H,15,16)
InChIKeyNNPFYRVAYMPQHE-UHFFFAOYSA-N
XLogP2.71
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,5-dimethyl-1H-imidazol-4-yl)thiophene-2-carboxylic acid
CID 90124228
5-(3-methyl-1,2-thiazol-5-yl)thiophene-2-carboxylic acid
CID 131191331
5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophene-2-carboxylic acid
CID 135215247
5-(2-methylquinolin-6-yl)thiophene-2-carboxylic acid
CID 81224038
ethane;5-(5-methyl-1,3,4-oxadiazol-2-yl)thiophene-2-carboxylic acid
CID 142287345
3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid;hydrochloride
CID 43810775
5-(5-amino-2-pyridinyl)thiophene-2-carboxylic acid
CID 58657308
5-(4-phenylphenyl)thiophene-2-carboxylic acid
CID 7130760
5-[(Z)-N-[(4,6-dimethylpyrimidin-2-yl)amino]-C-methylcarbonimidoyl]thiophene-2-carboxylic acid
CID 8825838
5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thiophene-2-carboxylic acid
CID 13413513
thiophene-2,5-dicarboxylic acid;dihydrochloride
CID 68502106
5-(4-oxo-3H-phthalazin-1-yl)thiophene-2-carboxylic acid
CID 10333419

Frequently Asked Questions

What is the IUPAC name of 5-(3-amino-4,6-dimethyl-2-pyridinyl)thiophene-2-carboxylic acid?
The IUPAC name of 5-(3-amino-4,6-dimethyl-2-pyridinyl)thiophene-2-carboxylic acid (CID 18801314) is 5-(3-amino-4,6-dimethyl-2-pyridinyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(3-amino-4,6-dimethyl-2-pyridinyl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(3-amino-4,6-dimethyl-2-pyridinyl)thiophene-2-carboxylic acid is Cc1cc(C)c(N)c(-c2ccc(C(=O)O)s2)n1.
What is the InChIKey of 5-(3-amino-4,6-dimethyl-2-pyridinyl)thiophene-2-carboxylic acid?
The InChIKey is NNPFYRVAYMPQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-6-5-7(2)14-11(10(6)13)8-3-4-9(17-8)12(15)16/h3-5H,13H2,1-2H3,(H,15,16).
What are the key properties of 5-(3-amino-4,6-dimethyl-2-pyridinyl)thiophene-2-carboxylic acid?
5-(3-amino-4,6-dimethyl-2-pyridinyl)thiophene-2-carboxylic acid has a molecular weight of 248.31 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-amino-4,6-dimethyl-2-pyridinyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 18801314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).