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

C11H10ClN3OS — CID 106550862

IUPAC6-chloro-N-(1-thiophen-2-ylethyl)pyrazine-2-carboxamide
SMILESCC(NC(=O)c1cncc(Cl)n1)c1cccs1
InChIInChI=1S/C11H10ClN3OS/c1-7(9-3-2-4-17-9)14-11(16)8-5-13-6-10(12)15-8/h2-7H,1H3,(H,14,16)
InChIKeyWSDLEKRCNMXCHU-UHFFFAOYSA-N
MW267.74 g/mol
LogP2.68
Rot. Bonds3

About 6-chloro-N-(1-thiophen-2-ylethyl)pyrazine-2-carboxamide

6-chloro-N-(1-thiophen-2-ylethyl)pyrazine-2-carboxamide (PubChem CID 106550862) has the molecular formula C11H10ClN3OS and a molecular weight of 267.74 g/mol. Its IUPAC name is 6-chloro-N-(1-thiophen-2-ylethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(1-thiophen-2-ylethyl)pyrazine-2-carboxamide
PubChem CID106550862
Molecular FormulaC11H10ClN3OS
Molecular Weight267.74 g/mol
Exact Mass267.02
IUPAC Name6-chloro-N-(1-thiophen-2-ylethyl)pyrazine-2-carboxamide
SMILESCC(NC(=O)c1cncc(Cl)n1)c1cccs1
InChIInChI=1S/C11H10ClN3OS/c1-7(9-3-2-4-17-9)14-11(16)8-5-13-6-10(12)15-8/h2-7H,1H3,(H,14,16)
InChIKeyWSDLEKRCNMXCHU-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-2-carboxamide
CID 62234351
5-chloro-N-(1-thiophen-2-ylethyl)pyrazine-2-carboxamide
CID 107235300
6-chloro-N-[1-(furan-2-yl)ethyl]pyrazine-2-carboxamide
CID 106550906
6-chloro-N-(1-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 42907558
4-chloro-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 43398740
4-chloro-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 7742310
2-chloro-N-(1-thiophen-2-ylethyl)benzamide
CID 42907549
5-chloro-2-propan-2-yl-N-(1-thiophen-2-ylethyl)pyrimidine-4-carboxamide
CID 47459211
6-chloro-N-(2-methyl-1-phenylpropyl)pyrazine-2-carboxamide
CID 103336985
6-amino-3-chloro-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 62155473
N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 768439
6-chloro-N-(4-hydroxybutan-2-yl)pyrazine-2-carboxamide
CID 106551541

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1-thiophen-2-ylethyl)pyrazine-2-carboxamide?
The IUPAC name of 6-chloro-N-(1-thiophen-2-ylethyl)pyrazine-2-carboxamide (CID 106550862) is 6-chloro-N-(1-thiophen-2-ylethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(1-thiophen-2-ylethyl)pyrazine-2-carboxamide?
The canonical SMILES for 6-chloro-N-(1-thiophen-2-ylethyl)pyrazine-2-carboxamide is CC(NC(=O)c1cncc(Cl)n1)c1cccs1.
What is the InChIKey of 6-chloro-N-(1-thiophen-2-ylethyl)pyrazine-2-carboxamide?
The InChIKey is WSDLEKRCNMXCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3OS/c1-7(9-3-2-4-17-9)14-11(16)8-5-13-6-10(12)15-8/h2-7H,1H3,(H,14,16).
What are the key properties of 6-chloro-N-(1-thiophen-2-ylethyl)pyrazine-2-carboxamide?
6-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 6-chloro-N-(1-thiophen-2-ylethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 106550862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).