N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrazine-2-carboxamide

C14H14N4O2S — CID 841628

IUPACN-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrazine-2-carboxamide
SMILESNC(=O)c1c(NC(=O)c2cnccn2)sc2c1CCCC2
InChIInChI=1S/C14H14N4O2S/c15-12(19)11-8-3-1-2-4-10(8)21-14(11)18-13(20)9-7-16-5-6-17-9/h5-7H,1-4H2,(H2,15,19)(H,18,20)
InChIKeyQLVGBOYXFQCZTK-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.77
Rot. Bonds3

About N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrazine-2-carboxamide

N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrazine-2-carboxamide (PubChem CID 841628) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrazine-2-carboxamide
PubChem CID841628
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC NameN-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrazine-2-carboxamide
SMILESNC(=O)c1c(NC(=O)c2cnccn2)sc2c1CCCC2
InChIInChI=1S/C14H14N4O2S/c15-12(19)11-8-3-1-2-4-10(8)21-14(11)18-13(20)9-7-16-5-6-17-9/h5-7H,1-4H2,(H2,15,19)(H,18,20)
InChIKeyQLVGBOYXFQCZTK-UHFFFAOYSA-N
XLogP1.77
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-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-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrazine-2-carboxamide?
The IUPAC name of N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrazine-2-carboxamide (CID 841628) is N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrazine-2-carboxamide is NC(=O)c1c(NC(=O)c2cnccn2)sc2c1CCCC2.
What is the InChIKey of N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrazine-2-carboxamide?
The InChIKey is QLVGBOYXFQCZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c15-12(19)11-8-3-1-2-4-10(8)21-14(11)18-13(20)9-7-16-5-6-17-9/h5-7H,1-4H2,(H2,15,19)(H,18,20).
What are the key properties of N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrazine-2-carboxamide?
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrazine-2-carboxamide has a molecular weight of 302.36 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 841628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).