N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]pyrazine-2-carboxamide

C14H13N5OS — CID 108729429

IUPACN-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]pyrazine-2-carboxamide
SMILESO=C(NCCc1[nH]cnc1-c1cccs1)c1cnccn1
InChIInChI=1S/C14H13N5OS/c20-14(11-8-15-5-6-16-11)17-4-3-10-13(19-9-18-10)12-2-1-7-21-12/h1-2,5-9H,3-4H2,(H,17,20)(H,18,19)
InChIKeyXMAQMSNUELPXPP-UHFFFAOYSA-N
MW299.36 g/mol
LogP1.90
Rot. Bonds5

About N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]pyrazine-2-carboxamide

N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]pyrazine-2-carboxamide (PubChem CID 108729429) has the molecular formula C14H13N5OS and a molecular weight of 299.36 g/mol. Its IUPAC name is N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]pyrazine-2-carboxamide
PubChem CID108729429
Molecular FormulaC14H13N5OS
Molecular Weight299.36 g/mol
Exact Mass299.08
IUPAC NameN-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]pyrazine-2-carboxamide
SMILESO=C(NCCc1[nH]cnc1-c1cccs1)c1cnccn1
InChIInChI=1S/C14H13N5OS/c20-14(11-8-15-5-6-16-11)17-4-3-10-13(19-9-18-10)12-2-1-7-21-12/h1-2,5-9H,3-4H2,(H,17,20)(H,18,19)
InChIKeyXMAQMSNUELPXPP-UHFFFAOYSA-N
XLogP1.90
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]pyrazine-2-carboxamide (CID 108729429) is N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]pyrazine-2-carboxamide is O=C(NCCc1[nH]cnc1-c1cccs1)c1cnccn1.
What is the InChIKey of N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]pyrazine-2-carboxamide?
The InChIKey is XMAQMSNUELPXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5OS/c20-14(11-8-15-5-6-16-11)17-4-3-10-13(19-9-18-10)12-2-1-7-21-12/h1-2,5-9H,3-4H2,(H,17,20)(H,18,19).
What are the key properties of N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]pyrazine-2-carboxamide?
N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]pyrazine-2-carboxamide has a molecular weight of 299.36 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 108729429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).