N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-1-benzothiophene-2-carboxamide

C19H21N5O2S — CID 122321620

IUPACN-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-1-benzothiophene-2-carboxamide
SMILESO=C(NCCNc1cc(N2CCOCC2)cnn1)c1cc2ccccc2s1
InChIInChI=1S/C19H21N5O2S/c25-19(17-11-14-3-1-2-4-16(14)27-17)21-6-5-20-18-12-15(13-22-23-18)24-7-9-26-10-8-24/h1-4,11-13H,5-10H2,(H,20,23)(H,21,25)
InChIKeyTZKUFPYIIXPWGM-UHFFFAOYSA-N
MW383.48 g/mol
LogP2.37
Rot. Bonds6

About N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-1-benzothiophene-2-carboxamide

N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-1-benzothiophene-2-carboxamide (PubChem CID 122321620) has the molecular formula C19H21N5O2S and a molecular weight of 383.48 g/mol. Its IUPAC name is N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-1-benzothiophene-2-carboxamide
PubChem CID122321620
Molecular FormulaC19H21N5O2S
Molecular Weight383.48 g/mol
Exact Mass383.14
IUPAC NameN-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-1-benzothiophene-2-carboxamide
SMILESO=C(NCCNc1cc(N2CCOCC2)cnn1)c1cc2ccccc2s1
InChIInChI=1S/C19H21N5O2S/c25-19(17-11-14-3-1-2-4-16(14)27-17)21-6-5-20-18-12-15(13-22-23-18)24-7-9-26-10-8-24/h1-4,11-13H,5-10H2,(H,20,23)(H,21,25)
InChIKeyTZKUFPYIIXPWGM-UHFFFAOYSA-N
XLogP2.37
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-6-oxopyran-3-carboxamide
CID 122321526
1-(2-methylphenyl)-3-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]urea
CID 122321473
3-fluoro-4-methyl-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]benzamide
CID 122321616
N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-4-phenylbutanamide
CID 122321432
N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]naphthalene-2-carboxamide
CID 122321030
2-(2-chloro-6-fluorophenyl)-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122321685
5-fluoro-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]pyridine-3-carboxamide
CID 122321690
1-benzothiophen-2-yl-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]methanone
CID 122355684
N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]cyclobutanecarboxamide
CID 122321586
8-methoxy-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-2-oxochromene-3-carboxamide
CID 122321528
N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]adamantane-1-carboxamide
CID 122321549
N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-2-pyrazol-1-ylacetamide
CID 122321653

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-1-benzothiophene-2-carboxamide (CID 122321620) is N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-1-benzothiophene-2-carboxamide is O=C(NCCNc1cc(N2CCOCC2)cnn1)c1cc2ccccc2s1.
What is the InChIKey of N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-1-benzothiophene-2-carboxamide?
The InChIKey is TZKUFPYIIXPWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2S/c25-19(17-11-14-3-1-2-4-16(14)27-17)21-6-5-20-18-12-15(13-22-23-18)24-7-9-26-10-8-24/h1-4,11-13H,5-10H2,(H,20,23)(H,21,25).
What are the key properties of N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-1-benzothiophene-2-carboxamide?
N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-1-benzothiophene-2-carboxamide has a molecular weight of 383.48 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 122321620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).