N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]-2H-triazole-4-carboxamide

C12H11N7OS — CID 56905116

IUPACN-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]-2H-triazole-4-carboxamide
SMILESO=C(NCCc1csc(-c2cnccn2)n1)c1cn[nH]n1
InChIInChI=1S/C12H11N7OS/c20-11(9-6-16-19-18-9)15-2-1-8-7-21-12(17-8)10-5-13-3-4-14-10/h3-7H,1-2H2,(H,15,20)(H,16,18,19)
InChIKeyXCJHEQAGOKOKRL-UHFFFAOYSA-N
MW301.33 g/mol
LogP0.69
Rot. Bonds5

About N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]-2H-triazole-4-carboxamide

N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]-2H-triazole-4-carboxamide (PubChem CID 56905116) has the molecular formula C12H11N7OS and a molecular weight of 301.33 g/mol. Its IUPAC name is N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]-2H-triazole-4-carboxamide
PubChem CID56905116
Molecular FormulaC12H11N7OS
Molecular Weight301.33 g/mol
Exact Mass301.07
IUPAC NameN-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]-2H-triazole-4-carboxamide
SMILESO=C(NCCc1csc(-c2cnccn2)n1)c1cn[nH]n1
InChIInChI=1S/C12H11N7OS/c20-11(9-6-16-19-18-9)15-2-1-8-7-21-12(17-8)10-5-13-3-4-14-10/h3-7H,1-2H2,(H,15,20)(H,16,18,19)
InChIKeyXCJHEQAGOKOKRL-UHFFFAOYSA-N
XLogP0.69
TPSA109.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]-2H-triazole-4-carboxamide?
The IUPAC name of N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]-2H-triazole-4-carboxamide (CID 56905116) is N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]-2H-triazole-4-carboxamide?
The canonical SMILES for N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]-2H-triazole-4-carboxamide is O=C(NCCc1csc(-c2cnccn2)n1)c1cn[nH]n1.
What is the InChIKey of N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]-2H-triazole-4-carboxamide?
The InChIKey is XCJHEQAGOKOKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N7OS/c20-11(9-6-16-19-18-9)15-2-1-8-7-21-12(17-8)10-5-13-3-4-14-10/h3-7H,1-2H2,(H,15,20)(H,16,18,19).
What are the key properties of N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]-2H-triazole-4-carboxamide?
N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]-2H-triazole-4-carboxamide has a molecular weight of 301.33 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 56905116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).