5-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)thiophene-2-carboxylic acid

C14H19NO2S — CID 619428

IUPAC5-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)thiophene-2-carboxylic acid
SMILESCC1(C)C=C(c2ccc(C(=O)O)s2)CC(C)(C)N1
InChIInChI=1S/C14H19NO2S/c1-13(2)7-9(8-14(3,4)15-13)10-5-6-11(18-10)12(16)17/h5-7,15H,8H2,1-4H3,(H,16,17)
InChIKeyOMWCVZNKIIZBMZ-UHFFFAOYSA-N
MW265.38 g/mol
LogP3.38
Rot. Bonds2

About 5-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)thiophene-2-carboxylic acid

5-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)thiophene-2-carboxylic acid (PubChem CID 619428) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is 5-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)thiophene-2-carboxylic acid
PubChem CID619428
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name5-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)thiophene-2-carboxylic acid
SMILESCC1(C)C=C(c2ccc(C(=O)O)s2)CC(C)(C)N1
InChIInChI=1S/C14H19NO2S/c1-13(2)7-9(8-14(3,4)15-13)10-5-6-11(18-10)12(16)17/h5-7,15H,8H2,1-4H3,(H,16,17)
InChIKeyOMWCVZNKIIZBMZ-UHFFFAOYSA-N
XLogP3.38
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)thiophene-2-carboxylic acid?
The IUPAC name of 5-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)thiophene-2-carboxylic acid (CID 619428) is 5-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)thiophene-2-carboxylic acid is CC1(C)C=C(c2ccc(C(=O)O)s2)CC(C)(C)N1.
What is the InChIKey of 5-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)thiophene-2-carboxylic acid?
The InChIKey is OMWCVZNKIIZBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-13(2)7-9(8-14(3,4)15-13)10-5-6-11(18-10)12(16)17/h5-7,15H,8H2,1-4H3,(H,16,17).
What are the key properties of 5-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)thiophene-2-carboxylic acid?
5-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)thiophene-2-carboxylic acid has a molecular weight of 265.38 g/mol, XLogP of 3.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)thiophene-2-carboxylic acid is sourced from PubChem (CID 619428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).