(2S)-N-[2-(pyrazin-2-ylamino)ethyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide

C15H19N5OS — CID 95133730

IUPAC(2S)-N-[2-(pyrazin-2-ylamino)ethyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
SMILESO=C(NCCNc1cnccn1)N1CCC[C@H]1c1cccs1
InChIInChI=1S/C15H19N5OS/c21-15(19-8-7-18-14-11-16-5-6-17-14)20-9-1-3-12(20)13-4-2-10-22-13/h2,4-6,10-12H,1,3,7-9H2,(H,17,18)(H,19,21)/t12-/m0/s1
InChIKeyQVUMGJQQFGMHKR-LBPRGKRZSA-N
MW317.42 g/mol
LogP2.50
Rot. Bonds5

About (2S)-N-[2-(pyrazin-2-ylamino)ethyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide

(2S)-N-[2-(pyrazin-2-ylamino)ethyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide (PubChem CID 95133730) has the molecular formula C15H19N5OS and a molecular weight of 317.42 g/mol. Its IUPAC name is (2S)-N-[2-(pyrazin-2-ylamino)ethyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-(pyrazin-2-ylamino)ethyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
PubChem CID95133730
Molecular FormulaC15H19N5OS
Molecular Weight317.42 g/mol
Exact Mass317.13
IUPAC Name(2S)-N-[2-(pyrazin-2-ylamino)ethyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
SMILESO=C(NCCNc1cnccn1)N1CCC[C@H]1c1cccs1
InChIInChI=1S/C15H19N5OS/c21-15(19-8-7-18-14-11-16-5-6-17-14)20-9-1-3-12(20)13-4-2-10-22-13/h2,4-6,10-12H,1,3,7-9H2,(H,17,18)(H,19,21)/t12-/m0/s1
InChIKeyQVUMGJQQFGMHKR-LBPRGKRZSA-N
XLogP2.50
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(2-thiophen-2-ylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 122019481
(2S)-N-[3-(azepan-1-yl)-3-oxopropyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 97012952
N-[2-(2-oxoazepan-1-yl)ethyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 51084945
[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 37023275
2-pyridin-4-yl-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-1-carboxamide
CID 51084887
(2S)-N-[(2-ethoxy-3-pyridinyl)methyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 51959608
(2R)-N-(3-methoxypropyl)-2-thiophen-2-ylazepane-1-carboxamide
CID 92503190
(2S)-N-[[(3S)-oxolan-3-yl]methyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 94124343
(2R)-N-(4-pyrimidin-2-yloxyphenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 97012959
(2R)-N-benzyl-2-thiophen-2-ylazepane-1-carboxamide
CID 92503180
(2S)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 94031880
N-(4-cyclopropylpyrimidin-2-yl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 138047918

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(pyrazin-2-ylamino)ethyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide?
The IUPAC name of (2S)-N-[2-(pyrazin-2-ylamino)ethyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide (CID 95133730) is (2S)-N-[2-(pyrazin-2-ylamino)ethyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-N-[2-(pyrazin-2-ylamino)ethyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-N-[2-(pyrazin-2-ylamino)ethyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide is O=C(NCCNc1cnccn1)N1CCC[C@H]1c1cccs1.
What is the InChIKey of (2S)-N-[2-(pyrazin-2-ylamino)ethyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide?
The InChIKey is QVUMGJQQFGMHKR-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19N5OS/c21-15(19-8-7-18-14-11-16-5-6-17-14)20-9-1-3-12(20)13-4-2-10-22-13/h2,4-6,10-12H,1,3,7-9H2,(H,17,18)(H,19,21)/t12-/m0/s1.
What are the key properties of (2S)-N-[2-(pyrazin-2-ylamino)ethyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide?
(2S)-N-[2-(pyrazin-2-ylamino)ethyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide has a molecular weight of 317.42 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(pyrazin-2-ylamino)ethyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 95133730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).