4-piperazin-1-yl-N-pyridin-2-yl-1-benzothiophene-2-carboxamide

C18H18N4OS — CID 166360667

IUPAC4-piperazin-1-yl-N-pyridin-2-yl-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccccn1)c1cc2c(N3CCNCC3)cccc2s1
InChIInChI=1S/C18H18N4OS/c23-18(21-17-6-1-2-7-20-17)16-12-13-14(4-3-5-15(13)24-16)22-10-8-19-9-11-22/h1-7,12,19H,8-11H2,(H,20,21,23)
InChIKeyICWMLJYTGYHSAU-UHFFFAOYSA-N
MW338.44 g/mol
LogP2.96
Rot. Bonds3

About 4-piperazin-1-yl-N-pyridin-2-yl-1-benzothiophene-2-carboxamide

4-piperazin-1-yl-N-pyridin-2-yl-1-benzothiophene-2-carboxamide (PubChem CID 166360667) has the molecular formula C18H18N4OS and a molecular weight of 338.44 g/mol. Its IUPAC name is 4-piperazin-1-yl-N-pyridin-2-yl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name4-piperazin-1-yl-N-pyridin-2-yl-1-benzothiophene-2-carboxamide
PubChem CID166360667
Molecular FormulaC18H18N4OS
Molecular Weight338.44 g/mol
Exact Mass338.12
IUPAC Name4-piperazin-1-yl-N-pyridin-2-yl-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccccn1)c1cc2c(N3CCNCC3)cccc2s1
InChIInChI=1S/C18H18N4OS/c23-18(21-17-6-1-2-7-20-17)16-12-13-14(4-3-5-15(13)24-16)22-10-8-19-9-11-22/h1-7,12,19H,8-11H2,(H,20,21,23)
InChIKeyICWMLJYTGYHSAU-UHFFFAOYSA-N
XLogP2.96
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-piperazin-1-yl-N-pyridin-2-yl-1-benzothiophene-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

Related Compounds

N-pyridin-2-yl-5-pyrrolidin-2-ylthiophene-2-carboxamide
CID 45236193
4,6-dimethyl-N-(5-piperazin-1-yl-2-pyridinyl)thieno[2,3-b]pyridine-2-carboxamide
CID 167750453
N-pyridin-2-yl-1,2-thiazole-5-carboxamide
CID 110692246
4-(4-propylpiperazin-1-yl)-1-benzothiophene-2-carboxylic acid
CID 57323023
5-piperazin-1-ylquinoline
CID 10656226
2-oxo-N-pyridin-2-ylimidazolidine-1-carboxamide
CID 679208
1-(4-fluorophenyl)-3-methyl-N-pyridin-2-ylthieno[3,2-d]pyrazole-5-carboxamide
CID 18107121
3-piperazin-1-yl-N-pyridin-2-ylbutanamide
CID 115189124
N-pyridin-2-yl-2-pyrrolidin-1-ylpyridine-4-carboxamide
CID 84574823
N-(4-bromo-2-pyridinyl)-1-benzothiophene-2-carboxamide
CID 102674100
N-(4-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide
CID 35029727
1-(1-benzothiophen-4-yl)piperazine;methane
CID 161016318

Frequently Asked Questions

What is the IUPAC name of 4-piperazin-1-yl-N-pyridin-2-yl-1-benzothiophene-2-carboxamide?
The IUPAC name of 4-piperazin-1-yl-N-pyridin-2-yl-1-benzothiophene-2-carboxamide (CID 166360667) is 4-piperazin-1-yl-N-pyridin-2-yl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 4-piperazin-1-yl-N-pyridin-2-yl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 4-piperazin-1-yl-N-pyridin-2-yl-1-benzothiophene-2-carboxamide is O=C(Nc1ccccn1)c1cc2c(N3CCNCC3)cccc2s1.
What is the InChIKey of 4-piperazin-1-yl-N-pyridin-2-yl-1-benzothiophene-2-carboxamide?
The InChIKey is ICWMLJYTGYHSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS/c23-18(21-17-6-1-2-7-20-17)16-12-13-14(4-3-5-15(13)24-16)22-10-8-19-9-11-22/h1-7,12,19H,8-11H2,(H,20,21,23).
What are the key properties of 4-piperazin-1-yl-N-pyridin-2-yl-1-benzothiophene-2-carboxamide?
4-piperazin-1-yl-N-pyridin-2-yl-1-benzothiophene-2-carboxamide has a molecular weight of 338.44 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperazin-1-yl-N-pyridin-2-yl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 166360667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).