3-amino-N-(1-thiophen-2-ylpropyl)pyrazine-2-carboxamide

C12H14N4OS — CID 119132592

IUPAC3-amino-N-(1-thiophen-2-ylpropyl)pyrazine-2-carboxamide
SMILESCCC(NC(=O)c1nccnc1N)c1cccs1
InChIInChI=1S/C12H14N4OS/c1-2-8(9-4-3-7-18-9)16-12(17)10-11(13)15-6-5-14-10/h3-8H,2H2,1H3,(H2,13,15)(H,16,17)
InChIKeyJDWMLVVBFMUZHU-UHFFFAOYSA-N
MW262.34 g/mol
LogP2.00
Rot. Bonds4

About 3-amino-N-(1-thiophen-2-ylpropyl)pyrazine-2-carboxamide

3-amino-N-(1-thiophen-2-ylpropyl)pyrazine-2-carboxamide (PubChem CID 119132592) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is 3-amino-N-(1-thiophen-2-ylpropyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(1-thiophen-2-ylpropyl)pyrazine-2-carboxamide
PubChem CID119132592
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name3-amino-N-(1-thiophen-2-ylpropyl)pyrazine-2-carboxamide
SMILESCCC(NC(=O)c1nccnc1N)c1cccs1
InChIInChI=1S/C12H14N4OS/c1-2-8(9-4-3-7-18-9)16-12(17)10-11(13)15-6-5-14-10/h3-8H,2H2,1H3,(H2,13,15)(H,16,17)
InChIKeyJDWMLVVBFMUZHU-UHFFFAOYSA-N
XLogP2.00
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(1-thiophen-2-ylpropyl)pyridine-4-carboxamide
CID 62159520
3-(3-aminoprop-1-ynyl)-N-(1-thiophen-2-ylpropyl)pyridine-2-carboxamide
CID 107524027
4-amino-5-methyl-N-(1-thiophen-2-ylpropyl)-1H-pyrazole-3-carboxamide
CID 55034284
3-amino-N-(1-thiophen-2-ylpropyl)benzamide
CID 54964756
N-(1-thiophen-2-ylpropyl)-1H-imidazole-2-carboxamide
CID 131945847
6-chloro-N-(1-thiophen-2-ylpropyl)pyridine-3-carboxamide
CID 47316391
4-chloro-N-(1-thiophen-2-ylpropyl)pyridine-2-carboxamide
CID 47316513
2-(ethylamino)-N-(1-thiophen-2-ylpropyl)pyridine-3-carboxamide
CID 62179628
3-amino-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)pyrazine-2-carboxamide
CID 42940363
2-amino-N-(1-thiophen-2-ylpropyl)-1,3-benzothiazole-6-carboxamide
CID 65349782
2,3-dihydroxy-N-(1-thiophen-2-ylpropyl)benzamide
CID 114344112
2-methyl-N-(1-thiophen-2-ylpropyl)propanamide
CID 61073106

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-thiophen-2-ylpropyl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-(1-thiophen-2-ylpropyl)pyrazine-2-carboxamide (CID 119132592) is 3-amino-N-(1-thiophen-2-ylpropyl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(1-thiophen-2-ylpropyl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-(1-thiophen-2-ylpropyl)pyrazine-2-carboxamide is CCC(NC(=O)c1nccnc1N)c1cccs1.
What is the InChIKey of 3-amino-N-(1-thiophen-2-ylpropyl)pyrazine-2-carboxamide?
The InChIKey is JDWMLVVBFMUZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-2-8(9-4-3-7-18-9)16-12(17)10-11(13)15-6-5-14-10/h3-8H,2H2,1H3,(H2,13,15)(H,16,17).
What are the key properties of 3-amino-N-(1-thiophen-2-ylpropyl)pyrazine-2-carboxamide?
3-amino-N-(1-thiophen-2-ylpropyl)pyrazine-2-carboxamide has a molecular weight of 262.34 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-thiophen-2-ylpropyl)pyrazine-2-carboxamide is sourced from PubChem (CID 119132592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).