N-[2-(dimethylamino)-2-thiophen-3-ylethyl]pyrazine-2-carboxamide

C13H16N4OS — CID 43060727

IUPACN-[2-(dimethylamino)-2-thiophen-3-ylethyl]pyrazine-2-carboxamide
SMILESCN(C)C(CNC(=O)c1cnccn1)c1ccsc1
InChIInChI=1S/C13H16N4OS/c1-17(2)12(10-3-6-19-9-10)8-16-13(18)11-7-14-4-5-15-11/h3-7,9,12H,8H2,1-2H3,(H,16,18)
InChIKeyFZFZUFHYSUCALX-UHFFFAOYSA-N
MW276.37 g/mol
LogP1.57
Rot. Bonds5

About N-[2-(dimethylamino)-2-thiophen-3-ylethyl]pyrazine-2-carboxamide

N-[2-(dimethylamino)-2-thiophen-3-ylethyl]pyrazine-2-carboxamide (PubChem CID 43060727) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-thiophen-3-ylethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-thiophen-3-ylethyl]pyrazine-2-carboxamide
PubChem CID43060727
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC NameN-[2-(dimethylamino)-2-thiophen-3-ylethyl]pyrazine-2-carboxamide
SMILESCN(C)C(CNC(=O)c1cnccn1)c1ccsc1
InChIInChI=1S/C13H16N4OS/c1-17(2)12(10-3-6-19-9-10)8-16-13(18)11-7-14-4-5-15-11/h3-7,9,12H,8H2,1-2H3,(H,16,18)
InChIKeyFZFZUFHYSUCALX-UHFFFAOYSA-N
XLogP1.57
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-N,4-N-bis[2-(dimethylamino)-2-thiophen-3-ylethyl]benzene-1,4-dicarboxamide
CID 46592184
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3,5-dimethylbenzamide
CID 42548990
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-5-methylthiophene-2-carboxamide
CID 32630977
N'-[2-(dimethylamino)-2-thiophen-3-ylethyl]-N-ethyloxamide
CID 16932111
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
CID 46593357
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-methylfuran-2-carboxamide
CID 32633181
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-4-(trifluoromethyl)benzamide
CID 16931137
2-bromo-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]benzamide
CID 16931182
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2,6-dimethoxybenzamide
CID 16931120
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3,5-dimethoxy-4-methylbenzamide
CID 46446841
1-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(pyridin-2-ylmethyl)urea
CID 94027034
(2S)-2-amino-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]propanamide
CID 119850709

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]pyrazine-2-carboxamide (CID 43060727) is N-[2-(dimethylamino)-2-thiophen-3-ylethyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-thiophen-3-ylethyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-thiophen-3-ylethyl]pyrazine-2-carboxamide is CN(C)C(CNC(=O)c1cnccn1)c1ccsc1.
What is the InChIKey of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]pyrazine-2-carboxamide?
The InChIKey is FZFZUFHYSUCALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-17(2)12(10-3-6-19-9-10)8-16-13(18)11-7-14-4-5-15-11/h3-7,9,12H,8H2,1-2H3,(H,16,18).
What are the key properties of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]pyrazine-2-carboxamide?
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]pyrazine-2-carboxamide has a molecular weight of 276.37 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-thiophen-3-ylethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 43060727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).