6-propan-2-yl-3-pyridin-2-yl-4H-thieno[3,2-b]pyrrole-2-carboxylic acid

C15H14N2O2S — CID 175940282

IUPAC6-propan-2-yl-3-pyridin-2-yl-4H-thieno[3,2-b]pyrrole-2-carboxylic acid
SMILESCC(C)c1c[nH]c2c(-c3ccccn3)c(C(=O)O)sc12
InChIInChI=1S/C15H14N2O2S/c1-8(2)9-7-17-12-11(10-5-3-4-6-16-10)14(15(18)19)20-13(9)12/h3-8,17H,1-2H3,(H,18,19)
InChIKeyVPUHLRMBTGHUES-UHFFFAOYSA-N
MW286.36 g/mol
LogP4.11
Rot. Bonds3

About 6-propan-2-yl-3-pyridin-2-yl-4H-thieno[3,2-b]pyrrole-2-carboxylic acid

6-propan-2-yl-3-pyridin-2-yl-4H-thieno[3,2-b]pyrrole-2-carboxylic acid (PubChem CID 175940282) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 6-propan-2-yl-3-pyridin-2-yl-4H-thieno[3,2-b]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name6-propan-2-yl-3-pyridin-2-yl-4H-thieno[3,2-b]pyrrole-2-carboxylic acid
PubChem CID175940282
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Name6-propan-2-yl-3-pyridin-2-yl-4H-thieno[3,2-b]pyrrole-2-carboxylic acid
SMILESCC(C)c1c[nH]c2c(-c3ccccn3)c(C(=O)O)sc12
InChIInChI=1S/C15H14N2O2S/c1-8(2)9-7-17-12-11(10-5-3-4-6-16-10)14(15(18)19)20-13(9)12/h3-8,17H,1-2H3,(H,18,19)
InChIKeyVPUHLRMBTGHUES-UHFFFAOYSA-N
XLogP4.11
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-3-pyridin-2-yl-4H-thieno[3,2-b]pyrrole-2-carboxylic acid?
The IUPAC name of 6-propan-2-yl-3-pyridin-2-yl-4H-thieno[3,2-b]pyrrole-2-carboxylic acid (CID 175940282) is 6-propan-2-yl-3-pyridin-2-yl-4H-thieno[3,2-b]pyrrole-2-carboxylic acid.
What is the SMILES notation for 6-propan-2-yl-3-pyridin-2-yl-4H-thieno[3,2-b]pyrrole-2-carboxylic acid?
The canonical SMILES for 6-propan-2-yl-3-pyridin-2-yl-4H-thieno[3,2-b]pyrrole-2-carboxylic acid is CC(C)c1c[nH]c2c(-c3ccccn3)c(C(=O)O)sc12.
What is the InChIKey of 6-propan-2-yl-3-pyridin-2-yl-4H-thieno[3,2-b]pyrrole-2-carboxylic acid?
The InChIKey is VPUHLRMBTGHUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-8(2)9-7-17-12-11(10-5-3-4-6-16-10)14(15(18)19)20-13(9)12/h3-8,17H,1-2H3,(H,18,19).
What are the key properties of 6-propan-2-yl-3-pyridin-2-yl-4H-thieno[3,2-b]pyrrole-2-carboxylic acid?
6-propan-2-yl-3-pyridin-2-yl-4H-thieno[3,2-b]pyrrole-2-carboxylic acid has a molecular weight of 286.36 g/mol, XLogP of 4.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-3-pyridin-2-yl-4H-thieno[3,2-b]pyrrole-2-carboxylic acid is sourced from PubChem (CID 175940282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).