N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]pyrazine-2-carboxamide

C11H11N3O2S — CID 95967203

IUPACN-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]pyrazine-2-carboxamide
SMILESO=C(NC[C@@H](O)c1cccs1)c1cnccn1
InChIInChI=1S/C11H11N3O2S/c15-9(10-2-1-5-17-10)7-14-11(16)8-6-12-3-4-13-8/h1-6,9,15H,7H2,(H,14,16)/t9-/m1/s1
InChIKeyXFGQFTBFPVCWMS-SECBINFHSA-N
MW249.30 g/mol
LogP1.00
Rot. Bonds4

About N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]pyrazine-2-carboxamide

N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]pyrazine-2-carboxamide (PubChem CID 95967203) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]pyrazine-2-carboxamide
PubChem CID95967203
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC NameN-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]pyrazine-2-carboxamide
SMILESO=C(NC[C@@H](O)c1cccs1)c1cnccn1
InChIInChI=1S/C11H11N3O2S/c15-9(10-2-1-5-17-10)7-14-11(16)8-6-12-3-4-13-8/h1-6,9,15H,7H2,(H,14,16)/t9-/m1/s1
InChIKeyXFGQFTBFPVCWMS-SECBINFHSA-N
XLogP1.00
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]quinoxaline-2-carboxamide
CID 95983403
N-(2-hydroxy-3-phenylpropyl)pyrazine-2-carboxamide
CID 90534299
N-[3-(benzylamino)-3-oxo-1,2-dithiophen-2-ylpropyl]pyrazine-2-carboxamide
CID 21156827
2,6-dichloro-N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]benzamide
CID 97076524
4-bromo-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide
CID 90500059
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]pyrazine-2-carboxamide
CID 43060727
N-(4-hydroxy-2-methylbutyl)pyrazine-2-carboxamide
CID 66106195
N-(2-hydroxy-2-thiophen-2-ylethyl)-2,6-dimethoxybenzamide
CID 90500029
N-(2-hydroxyethyl)pyrazine-2-carboxamide
CID 14230272
N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]pyrazine-2-carboxamide
CID 108729429
N-(2,2-diethoxyethyl)pyrazine-2-carboxamide
CID 103602082
3-chloro-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide
CID 71683855

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]pyrazine-2-carboxamide?
The IUPAC name of N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]pyrazine-2-carboxamide (CID 95967203) is N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]pyrazine-2-carboxamide is O=C(NC[C@@H](O)c1cccs1)c1cnccn1.
What is the InChIKey of N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]pyrazine-2-carboxamide?
The InChIKey is XFGQFTBFPVCWMS-SECBINFHSA-N. The full InChI is InChI=1S/C11H11N3O2S/c15-9(10-2-1-5-17-10)7-14-11(16)8-6-12-3-4-13-8/h1-6,9,15H,7H2,(H,14,16)/t9-/m1/s1.
What are the key properties of N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]pyrazine-2-carboxamide?
N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]pyrazine-2-carboxamide has a molecular weight of 249.30 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 95967203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).