5-chloro-N-(1-thiophen-2-ylethyl)pyrazine-2-carboxamide

C11H10ClN3OS — CID 107235300

IUPAC5-chloro-N-(1-thiophen-2-ylethyl)pyrazine-2-carboxamide
SMILESCC(NC(=O)c1cnc(Cl)cn1)c1cccs1
InChIInChI=1S/C11H10ClN3OS/c1-7(9-3-2-4-17-9)15-11(16)8-5-14-10(12)6-13-8/h2-7H,1H3,(H,15,16)
InChIKeyJVKGMUATLLMRTC-UHFFFAOYSA-N
MW267.74 g/mol
LogP2.68
Rot. Bonds3

About 5-chloro-N-(1-thiophen-2-ylethyl)pyrazine-2-carboxamide

5-chloro-N-(1-thiophen-2-ylethyl)pyrazine-2-carboxamide (PubChem CID 107235300) has the molecular formula C11H10ClN3OS and a molecular weight of 267.74 g/mol. Its IUPAC name is 5-chloro-N-(1-thiophen-2-ylethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(1-thiophen-2-ylethyl)pyrazine-2-carboxamide
PubChem CID107235300
Molecular FormulaC11H10ClN3OS
Molecular Weight267.74 g/mol
Exact Mass267.02
IUPAC Name5-chloro-N-(1-thiophen-2-ylethyl)pyrazine-2-carboxamide
SMILESCC(NC(=O)c1cnc(Cl)cn1)c1cccs1
InChIInChI=1S/C11H10ClN3OS/c1-7(9-3-2-4-17-9)15-11(16)8-5-14-10(12)6-13-8/h2-7H,1H3,(H,15,16)
InChIKeyJVKGMUATLLMRTC-UHFFFAOYSA-N
XLogP2.68
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-(1-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 42907558
6-chloro-N-(1-thiophen-2-ylethyl)pyrazine-2-carboxamide
CID 106550862
6-chloro-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 62234351
5-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]pyrazine-2-carboxamide
CID 107257634
4-chloro-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 43398740
5-chloro-N-[1-(furan-2-yl)ethyl]pyrazine-2-carboxamide
CID 107238943
5-chloro-N-[1-(4-methylphenyl)ethyl]pyrazine-2-carboxamide
CID 107244492
4-chloro-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 7742310
2-chloro-N-(1-thiophen-2-ylethyl)benzamide
CID 42907549
2-[(5-chloropyrazine-2-carbonyl)amino]propanoic acid
CID 107371387
5-chloro-2-propan-2-yl-N-(1-thiophen-2-ylethyl)pyrimidine-4-carboxamide
CID 47459211
5-chloro-N-(2-methyl-1-phenylpropyl)pyrazine-2-carboxamide
CID 103817083

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-thiophen-2-ylethyl)pyrazine-2-carboxamide?
The IUPAC name of 5-chloro-N-(1-thiophen-2-ylethyl)pyrazine-2-carboxamide (CID 107235300) is 5-chloro-N-(1-thiophen-2-ylethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(1-thiophen-2-ylethyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-chloro-N-(1-thiophen-2-ylethyl)pyrazine-2-carboxamide is CC(NC(=O)c1cnc(Cl)cn1)c1cccs1.
What is the InChIKey of 5-chloro-N-(1-thiophen-2-ylethyl)pyrazine-2-carboxamide?
The InChIKey is JVKGMUATLLMRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3OS/c1-7(9-3-2-4-17-9)15-11(16)8-5-14-10(12)6-13-8/h2-7H,1H3,(H,15,16).
What are the key properties of 5-chloro-N-(1-thiophen-2-ylethyl)pyrazine-2-carboxamide?
5-chloro-N-(1-thiophen-2-ylethyl)pyrazine-2-carboxamide has a molecular weight of 267.74 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-thiophen-2-ylethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 107235300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).