N-(6-chloropyrazin-2-yl)-5-ethylthiophene-2-carboxamide

C11H10ClN3OS — CID 104819986

IUPACN-(6-chloropyrazin-2-yl)-5-ethylthiophene-2-carboxamide
SMILESCCc1ccc(C(=O)Nc2cncc(Cl)n2)s1
InChIInChI=1S/C11H10ClN3OS/c1-2-7-3-4-8(17-7)11(16)15-10-6-13-5-9(12)14-10/h3-6H,2H2,1H3,(H,14,15,16)
InChIKeyBPYFAKLHEDHPTN-UHFFFAOYSA-N
MW267.74 g/mol
LogP3.01
Rot. Bonds3

About N-(6-chloropyrazin-2-yl)-5-ethylthiophene-2-carboxamide

N-(6-chloropyrazin-2-yl)-5-ethylthiophene-2-carboxamide (PubChem CID 104819986) has the molecular formula C11H10ClN3OS and a molecular weight of 267.74 g/mol. Its IUPAC name is N-(6-chloropyrazin-2-yl)-5-ethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(6-chloropyrazin-2-yl)-5-ethylthiophene-2-carboxamide
PubChem CID104819986
Molecular FormulaC11H10ClN3OS
Molecular Weight267.74 g/mol
Exact Mass267.02
IUPAC NameN-(6-chloropyrazin-2-yl)-5-ethylthiophene-2-carboxamide
SMILESCCc1ccc(C(=O)Nc2cncc(Cl)n2)s1
InChIInChI=1S/C11H10ClN3OS/c1-2-7-3-4-8(17-7)11(16)15-10-6-13-5-9(12)14-10/h3-6H,2H2,1H3,(H,14,15,16)
InChIKeyBPYFAKLHEDHPTN-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloropyrazin-2-yl)-5-ethylthiophene-2-carboxamide?
The IUPAC name of N-(6-chloropyrazin-2-yl)-5-ethylthiophene-2-carboxamide (CID 104819986) is N-(6-chloropyrazin-2-yl)-5-ethylthiophene-2-carboxamide.
What is the SMILES notation for N-(6-chloropyrazin-2-yl)-5-ethylthiophene-2-carboxamide?
The canonical SMILES for N-(6-chloropyrazin-2-yl)-5-ethylthiophene-2-carboxamide is CCc1ccc(C(=O)Nc2cncc(Cl)n2)s1.
What is the InChIKey of N-(6-chloropyrazin-2-yl)-5-ethylthiophene-2-carboxamide?
The InChIKey is BPYFAKLHEDHPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3OS/c1-2-7-3-4-8(17-7)11(16)15-10-6-13-5-9(12)14-10/h3-6H,2H2,1H3,(H,14,15,16).
What are the key properties of N-(6-chloropyrazin-2-yl)-5-ethylthiophene-2-carboxamide?
N-(6-chloropyrazin-2-yl)-5-ethylthiophene-2-carboxamide has a molecular weight of 267.74 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloropyrazin-2-yl)-5-ethylthiophene-2-carboxamide is sourced from PubChem (CID 104819986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).