5-cyclopropyl-N-propan-2-ylthieno[2,3-c]pyrrole-2-carboxamide

C13H16N2OS — CID 53191479

IUPAC5-cyclopropyl-N-propan-2-ylthieno[2,3-c]pyrrole-2-carboxamide
SMILESCC(C)NC(=O)c1cc2cn(C3CC3)cc2s1
InChIInChI=1S/C13H16N2OS/c1-8(2)14-13(16)11-5-9-6-15(10-3-4-10)7-12(9)17-11/h5-8,10H,3-4H2,1-2H3,(H,14,16)
InChIKeyOUOYPMIFWPKAOU-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.18
Rot. Bonds3

About 5-cyclopropyl-N-propan-2-ylthieno[2,3-c]pyrrole-2-carboxamide

5-cyclopropyl-N-propan-2-ylthieno[2,3-c]pyrrole-2-carboxamide (PubChem CID 53191479) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 5-cyclopropyl-N-propan-2-ylthieno[2,3-c]pyrrole-2-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-propan-2-ylthieno[2,3-c]pyrrole-2-carboxamide
PubChem CID53191479
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name5-cyclopropyl-N-propan-2-ylthieno[2,3-c]pyrrole-2-carboxamide
SMILESCC(C)NC(=O)c1cc2cn(C3CC3)cc2s1
InChIInChI=1S/C13H16N2OS/c1-8(2)14-13(16)11-5-9-6-15(10-3-4-10)7-12(9)17-11/h5-8,10H,3-4H2,1-2H3,(H,14,16)
InChIKeyOUOYPMIFWPKAOU-UHFFFAOYSA-N
XLogP3.18
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-propan-2-ylthieno[2,3-c]pyrrole-2-carboxamide?
The IUPAC name of 5-cyclopropyl-N-propan-2-ylthieno[2,3-c]pyrrole-2-carboxamide (CID 53191479) is 5-cyclopropyl-N-propan-2-ylthieno[2,3-c]pyrrole-2-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-propan-2-ylthieno[2,3-c]pyrrole-2-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-propan-2-ylthieno[2,3-c]pyrrole-2-carboxamide is CC(C)NC(=O)c1cc2cn(C3CC3)cc2s1.
What is the InChIKey of 5-cyclopropyl-N-propan-2-ylthieno[2,3-c]pyrrole-2-carboxamide?
The InChIKey is OUOYPMIFWPKAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-8(2)14-13(16)11-5-9-6-15(10-3-4-10)7-12(9)17-11/h5-8,10H,3-4H2,1-2H3,(H,14,16).
What are the key properties of 5-cyclopropyl-N-propan-2-ylthieno[2,3-c]pyrrole-2-carboxamide?
5-cyclopropyl-N-propan-2-ylthieno[2,3-c]pyrrole-2-carboxamide has a molecular weight of 248.35 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-propan-2-ylthieno[2,3-c]pyrrole-2-carboxamide is sourced from PubChem (CID 53191479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).