N-(2-imidazol-1-ylethyl)-2-thiophen-3-ylpyrrolidine-1-carboxamide

C14H18N4OS — CID 47240716

IUPACN-(2-imidazol-1-ylethyl)-2-thiophen-3-ylpyrrolidine-1-carboxamide
SMILESO=C(NCCn1ccnc1)N1CCCC1c1ccsc1
InChIInChI=1S/C14H18N4OS/c19-14(16-5-8-17-7-4-15-11-17)18-6-1-2-13(18)12-3-9-20-10-12/h3-4,7,9-11,13H,1-2,5-6,8H2,(H,16,19)
InChIKeySFBYUZSSUSGTJV-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.49
Rot. Bonds4

About N-(2-imidazol-1-ylethyl)-2-thiophen-3-ylpyrrolidine-1-carboxamide

N-(2-imidazol-1-ylethyl)-2-thiophen-3-ylpyrrolidine-1-carboxamide (PubChem CID 47240716) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is N-(2-imidazol-1-ylethyl)-2-thiophen-3-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-imidazol-1-ylethyl)-2-thiophen-3-ylpyrrolidine-1-carboxamide
PubChem CID47240716
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC NameN-(2-imidazol-1-ylethyl)-2-thiophen-3-ylpyrrolidine-1-carboxamide
SMILESO=C(NCCn1ccnc1)N1CCCC1c1ccsc1
InChIInChI=1S/C14H18N4OS/c19-14(16-5-8-17-7-4-15-11-17)18-6-1-2-13(18)12-3-9-20-10-12/h3-4,7,9-11,13H,1-2,5-6,8H2,(H,16,19)
InChIKeySFBYUZSSUSGTJV-UHFFFAOYSA-N
XLogP2.49
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylethyl)-2-thiophen-3-ylpyrrolidine-1-carboxamide?
The IUPAC name of N-(2-imidazol-1-ylethyl)-2-thiophen-3-ylpyrrolidine-1-carboxamide (CID 47240716) is N-(2-imidazol-1-ylethyl)-2-thiophen-3-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2-imidazol-1-ylethyl)-2-thiophen-3-ylpyrrolidine-1-carboxamide?
The canonical SMILES for N-(2-imidazol-1-ylethyl)-2-thiophen-3-ylpyrrolidine-1-carboxamide is O=C(NCCn1ccnc1)N1CCCC1c1ccsc1.
What is the InChIKey of N-(2-imidazol-1-ylethyl)-2-thiophen-3-ylpyrrolidine-1-carboxamide?
The InChIKey is SFBYUZSSUSGTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c19-14(16-5-8-17-7-4-15-11-17)18-6-1-2-13(18)12-3-9-20-10-12/h3-4,7,9-11,13H,1-2,5-6,8H2,(H,16,19).
What are the key properties of N-(2-imidazol-1-ylethyl)-2-thiophen-3-ylpyrrolidine-1-carboxamide?
N-(2-imidazol-1-ylethyl)-2-thiophen-3-ylpyrrolidine-1-carboxamide has a molecular weight of 290.39 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylethyl)-2-thiophen-3-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 47240716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).