N-cyclopropyl-3-pyrrol-1-ylthiophene-2-carboxamide

C12H12N2OS — CID 4316567

IUPACN-cyclopropyl-3-pyrrol-1-ylthiophene-2-carboxamide
SMILESO=C(NC1CC1)c1sccc1-n1cccc1
InChIInChI=1S/C12H12N2OS/c15-12(13-9-3-4-9)11-10(5-8-16-11)14-6-1-2-7-14/h1-2,5-9H,3-4H2,(H,13,15)
InChIKeyIZHGQMHMVMBGBH-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.43
Rot. Bonds3

About N-cyclopropyl-3-pyrrol-1-ylthiophene-2-carboxamide

N-cyclopropyl-3-pyrrol-1-ylthiophene-2-carboxamide (PubChem CID 4316567) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is N-cyclopropyl-3-pyrrol-1-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-pyrrol-1-ylthiophene-2-carboxamide
PubChem CID4316567
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC NameN-cyclopropyl-3-pyrrol-1-ylthiophene-2-carboxamide
SMILESO=C(NC1CC1)c1sccc1-n1cccc1
InChIInChI=1S/C12H12N2OS/c15-12(13-9-3-4-9)11-10(5-8-16-11)14-6-1-2-7-14/h1-2,5-9H,3-4H2,(H,13,15)
InChIKeyIZHGQMHMVMBGBH-UHFFFAOYSA-N
XLogP2.43
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-pyrrol-1-ylthiophene-2-carboxamide?
The IUPAC name of N-cyclopropyl-3-pyrrol-1-ylthiophene-2-carboxamide (CID 4316567) is N-cyclopropyl-3-pyrrol-1-ylthiophene-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-pyrrol-1-ylthiophene-2-carboxamide?
The canonical SMILES for N-cyclopropyl-3-pyrrol-1-ylthiophene-2-carboxamide is O=C(NC1CC1)c1sccc1-n1cccc1.
What is the InChIKey of N-cyclopropyl-3-pyrrol-1-ylthiophene-2-carboxamide?
The InChIKey is IZHGQMHMVMBGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS/c15-12(13-9-3-4-9)11-10(5-8-16-11)14-6-1-2-7-14/h1-2,5-9H,3-4H2,(H,13,15).
What are the key properties of N-cyclopropyl-3-pyrrol-1-ylthiophene-2-carboxamide?
N-cyclopropyl-3-pyrrol-1-ylthiophene-2-carboxamide has a molecular weight of 232.31 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-pyrrol-1-ylthiophene-2-carboxamide is sourced from PubChem (CID 4316567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).