2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-pyridin-3-ylthiophene-3-carboxylic acid

C15H16N2O4S — CID 59373450

IUPAC2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-pyridin-3-ylthiophene-3-carboxylic acid
SMILESCC(C)(C)OC(=O)Nc1sc(-c2cccnc2)cc1C(=O)O
InChIInChI=1S/C15H16N2O4S/c1-15(2,3)21-14(20)17-12-10(13(18)19)7-11(22-12)9-5-4-6-16-8-9/h4-8H,1-3H3,(H,17,20)(H,18,19)
InChIKeyAAWHRTRGTPRKCM-UHFFFAOYSA-N
MW320.37 g/mol
LogP3.86
Rot. Bonds3

About 2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-pyridin-3-ylthiophene-3-carboxylic acid

2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-pyridin-3-ylthiophene-3-carboxylic acid (PubChem CID 59373450) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-pyridin-3-ylthiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-pyridin-3-ylthiophene-3-carboxylic acid
PubChem CID59373450
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC Name2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-pyridin-3-ylthiophene-3-carboxylic acid
SMILESCC(C)(C)OC(=O)Nc1sc(-c2cccnc2)cc1C(=O)O
InChIInChI=1S/C15H16N2O4S/c1-15(2,3)21-14(20)17-12-10(13(18)19)7-11(22-12)9-5-4-6-16-8-9/h4-8H,1-3H3,(H,17,20)(H,18,19)
InChIKeyAAWHRTRGTPRKCM-UHFFFAOYSA-N
XLogP3.86
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-pyridin-3-ylthiophene-3-carboxylic acid?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-pyridin-3-ylthiophene-3-carboxylic acid (CID 59373450) is 2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-pyridin-3-ylthiophene-3-carboxylic acid.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-pyridin-3-ylthiophene-3-carboxylic acid?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-pyridin-3-ylthiophene-3-carboxylic acid is CC(C)(C)OC(=O)Nc1sc(-c2cccnc2)cc1C(=O)O.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-pyridin-3-ylthiophene-3-carboxylic acid?
The InChIKey is AAWHRTRGTPRKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S/c1-15(2,3)21-14(20)17-12-10(13(18)19)7-11(22-12)9-5-4-6-16-8-9/h4-8H,1-3H3,(H,17,20)(H,18,19).
What are the key properties of 2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-pyridin-3-ylthiophene-3-carboxylic acid?
2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-pyridin-3-ylthiophene-3-carboxylic acid has a molecular weight of 320.37 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-pyridin-3-ylthiophene-3-carboxylic acid is sourced from PubChem (CID 59373450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).