N-(5-chloropyrazin-2-yl)-2,3-dihydro-1-benzothiophene-3-carboxamide

C13H10ClN3OS — CID 107595846

IUPACN-(5-chloropyrazin-2-yl)-2,3-dihydro-1-benzothiophene-3-carboxamide
SMILESO=C(Nc1cnc(Cl)cn1)C1CSc2ccccc21
InChIInChI=1S/C13H10ClN3OS/c14-11-5-16-12(6-15-11)17-13(18)9-7-19-10-4-2-1-3-8(9)10/h1-6,9H,7H2,(H,16,17,18)
InChIKeyXCMAURIHBGAJMW-UHFFFAOYSA-N
MW291.76 g/mol
LogP2.96
Rot. Bonds2

About N-(5-chloropyrazin-2-yl)-2,3-dihydro-1-benzothiophene-3-carboxamide

N-(5-chloropyrazin-2-yl)-2,3-dihydro-1-benzothiophene-3-carboxamide (PubChem CID 107595846) has the molecular formula C13H10ClN3OS and a molecular weight of 291.76 g/mol. Its IUPAC name is N-(5-chloropyrazin-2-yl)-2,3-dihydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloropyrazin-2-yl)-2,3-dihydro-1-benzothiophene-3-carboxamide
PubChem CID107595846
Molecular FormulaC13H10ClN3OS
Molecular Weight291.76 g/mol
Exact Mass291.02
IUPAC NameN-(5-chloropyrazin-2-yl)-2,3-dihydro-1-benzothiophene-3-carboxamide
SMILESO=C(Nc1cnc(Cl)cn1)C1CSc2ccccc21
InChIInChI=1S/C13H10ClN3OS/c14-11-5-16-12(6-15-11)17-13(18)9-7-19-10-4-2-1-3-8(9)10/h1-6,9H,7H2,(H,16,17,18)
InChIKeyXCMAURIHBGAJMW-UHFFFAOYSA-N
XLogP2.96
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(5-chloropyrazin-2-yl)-2,3-dihydro-1-benzothiophene-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(3-fluoro-2-pyridinyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 75504594
N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 167884624
N-(2-bromo-3-pyridinyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 113268388
N-[2-(chloromethyl)phenyl]-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 114298085
N-(3-bromo-5-methyl-2-pyridinyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 75388630
N-(4-chlorobutyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 106845501
N-(5-chloropyrazin-2-yl)thiolane-2-carboxamide
CID 107595679
N-[1-(chloromethyl)cyclopentyl]-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 114300470
N-(2-chloro-4-cyanophenyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 103811225
2,3-dihydro-1-benzothiophene-3-carboxamide
CID 78993611
2,3-dihydro-1-benzothiophene-3-carboxylic acid
CID 54594261
N-(3-acetylphenyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 78993497

Frequently Asked Questions

What is the IUPAC name of N-(5-chloropyrazin-2-yl)-2,3-dihydro-1-benzothiophene-3-carboxamide?
The IUPAC name of N-(5-chloropyrazin-2-yl)-2,3-dihydro-1-benzothiophene-3-carboxamide (CID 107595846) is N-(5-chloropyrazin-2-yl)-2,3-dihydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-(5-chloropyrazin-2-yl)-2,3-dihydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-(5-chloropyrazin-2-yl)-2,3-dihydro-1-benzothiophene-3-carboxamide is O=C(Nc1cnc(Cl)cn1)C1CSc2ccccc21.
What is the InChIKey of N-(5-chloropyrazin-2-yl)-2,3-dihydro-1-benzothiophene-3-carboxamide?
The InChIKey is XCMAURIHBGAJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3OS/c14-11-5-16-12(6-15-11)17-13(18)9-7-19-10-4-2-1-3-8(9)10/h1-6,9H,7H2,(H,16,17,18).
What are the key properties of N-(5-chloropyrazin-2-yl)-2,3-dihydro-1-benzothiophene-3-carboxamide?
N-(5-chloropyrazin-2-yl)-2,3-dihydro-1-benzothiophene-3-carboxamide has a molecular weight of 291.76 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloropyrazin-2-yl)-2,3-dihydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 107595846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).