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

C15H16N4O2S — CID 2933086

IUPACN-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrazine-2-carboxamide
SMILESCC1CCc2c(sc(NC(=O)c3cnccn3)c2C(N)=O)C1
InChIInChI=1S/C15H16N4O2S/c1-8-2-3-9-11(6-8)22-15(12(9)13(16)20)19-14(21)10-7-17-4-5-18-10/h4-5,7-8H,2-3,6H2,1H3,(H2,16,20)(H,19,21)
InChIKeyQYGRYHQEJBZODV-UHFFFAOYSA-N
MW316.39 g/mol
LogP2.01
Rot. Bonds3

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

N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrazine-2-carboxamide (PubChem CID 2933086) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrazine-2-carboxamide
PubChem CID2933086
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC NameN-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrazine-2-carboxamide
SMILESCC1CCc2c(sc(NC(=O)c3cnccn3)c2C(N)=O)C1
InChIInChI=1S/C15H16N4O2S/c1-8-2-3-9-11(6-8)22-15(12(9)13(16)20)19-14(21)10-7-17-4-5-18-10/h4-5,7-8H,2-3,6H2,1H3,(H2,16,20)(H,19,21)
InChIKeyQYGRYHQEJBZODV-UHFFFAOYSA-N
XLogP2.01
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-carbamoyl-6-methyl-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-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrazine-2-carboxamide?
The IUPAC name of N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrazine-2-carboxamide (CID 2933086) is N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrazine-2-carboxamide is CC1CCc2c(sc(NC(=O)c3cnccn3)c2C(N)=O)C1.
What is the InChIKey of N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrazine-2-carboxamide?
The InChIKey is QYGRYHQEJBZODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S/c1-8-2-3-9-11(6-8)22-15(12(9)13(16)20)19-14(21)10-7-17-4-5-18-10/h4-5,7-8H,2-3,6H2,1H3,(H2,16,20)(H,19,21).
What are the key properties of N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrazine-2-carboxamide?
N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrazine-2-carboxamide has a molecular weight of 316.39 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 2933086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).