N-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methylthiophen-3-yl]pyrazine-2-carboxamide

C14H13N5O2S — CID 53140723

IUPACN-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methylthiophen-3-yl]pyrazine-2-carboxamide
SMILESCCc1nnc(-c2cc(NC(=O)c3cnccn3)c(C)s2)o1
InChIInChI=1S/C14H13N5O2S/c1-3-12-18-19-14(21-12)11-6-9(8(2)22-11)17-13(20)10-7-15-4-5-16-10/h4-7H,3H2,1-2H3,(H,17,20)
InChIKeyXXCAKRXIOXHPDT-UHFFFAOYSA-N
MW315.36 g/mol
LogP2.71
Rot. Bonds4

About N-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methylthiophen-3-yl]pyrazine-2-carboxamide

N-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methylthiophen-3-yl]pyrazine-2-carboxamide (PubChem CID 53140723) has the molecular formula C14H13N5O2S and a molecular weight of 315.36 g/mol. Its IUPAC name is N-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methylthiophen-3-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methylthiophen-3-yl]pyrazine-2-carboxamide
PubChem CID53140723
Molecular FormulaC14H13N5O2S
Molecular Weight315.36 g/mol
Exact Mass315.08
IUPAC NameN-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methylthiophen-3-yl]pyrazine-2-carboxamide
SMILESCCc1nnc(-c2cc(NC(=O)c3cnccn3)c(C)s2)o1
InChIInChI=1S/C14H13N5O2S/c1-3-12-18-19-14(21-12)11-6-9(8(2)22-11)17-13(20)10-7-15-4-5-16-10/h4-7H,3H2,1-2H3,(H,17,20)
InChIKeyXXCAKRXIOXHPDT-UHFFFAOYSA-N
XLogP2.71
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methylthiophen-3-yl]pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methylthiophen-3-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methylthiophen-3-yl]pyrazine-2-carboxamide (CID 53140723) is N-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methylthiophen-3-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methylthiophen-3-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methylthiophen-3-yl]pyrazine-2-carboxamide is CCc1nnc(-c2cc(NC(=O)c3cnccn3)c(C)s2)o1.
What is the InChIKey of N-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methylthiophen-3-yl]pyrazine-2-carboxamide?
The InChIKey is XXCAKRXIOXHPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2S/c1-3-12-18-19-14(21-12)11-6-9(8(2)22-11)17-13(20)10-7-15-4-5-16-10/h4-7H,3H2,1-2H3,(H,17,20).
What are the key properties of N-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methylthiophen-3-yl]pyrazine-2-carboxamide?
N-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methylthiophen-3-yl]pyrazine-2-carboxamide has a molecular weight of 315.36 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methylthiophen-3-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 53140723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).