1-(4-fluoro-1,3-benzothiazol-2-yl)-N-[3-(6-oxopyridazin-1-yl)propyl]azetidine-3-carboxamide

C18H18FN5O2S — CID 90604576

IUPAC1-(4-fluoro-1,3-benzothiazol-2-yl)-N-[3-(6-oxopyridazin-1-yl)propyl]azetidine-3-carboxamide
SMILESO=C(NCCCn1ncccc1=O)C1CN(c2nc3c(F)cccc3s2)C1
InChIInChI=1S/C18H18FN5O2S/c19-13-4-1-5-14-16(13)22-18(27-14)23-10-12(11-23)17(26)20-7-3-9-24-15(25)6-2-8-21-24/h1-2,4-6,8,12H,3,7,9-11H2,(H,20,26)
InChIKeyMWCUDEYCOQHNHI-UHFFFAOYSA-N
MW387.44 g/mol
LogP1.63
Rot. Bonds6

About 1-(4-fluoro-1,3-benzothiazol-2-yl)-N-[3-(6-oxopyridazin-1-yl)propyl]azetidine-3-carboxamide

1-(4-fluoro-1,3-benzothiazol-2-yl)-N-[3-(6-oxopyridazin-1-yl)propyl]azetidine-3-carboxamide (PubChem CID 90604576) has the molecular formula C18H18FN5O2S and a molecular weight of 387.44 g/mol. Its IUPAC name is 1-(4-fluoro-1,3-benzothiazol-2-yl)-N-[3-(6-oxopyridazin-1-yl)propyl]azetidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluoro-1,3-benzothiazol-2-yl)-N-[3-(6-oxopyridazin-1-yl)propyl]azetidine-3-carboxamide
PubChem CID90604576
Molecular FormulaC18H18FN5O2S
Molecular Weight387.44 g/mol
Exact Mass387.12
IUPAC Name1-(4-fluoro-1,3-benzothiazol-2-yl)-N-[3-(6-oxopyridazin-1-yl)propyl]azetidine-3-carboxamide
SMILESO=C(NCCCn1ncccc1=O)C1CN(c2nc3c(F)cccc3s2)C1
InChIInChI=1S/C18H18FN5O2S/c19-13-4-1-5-14-16(13)22-18(27-14)23-10-12(11-23)17(26)20-7-3-9-24-15(25)6-2-8-21-24/h1-2,4-6,8,12H,3,7,9-11H2,(H,20,26)
InChIKeyMWCUDEYCOQHNHI-UHFFFAOYSA-N
XLogP1.63
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-(4-fluoro-1,3-benzothiazol-2-yl)-N-[3-(6-oxopyridazin-1-yl)propyl]azetidine-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

1-(4-fluoro-1,3-benzothiazol-2-yl)-N-(thiophen-2-ylmethyl)azetidine-3-carboxamide
CID 90604428
1-(4-fluoro-1,3-benzothiazol-2-yl)-N-[(4-methylphenyl)methyl]azetidine-3-carboxamide
CID 90604422
N-cyclopropyl-1-(4-fluoro-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 56724519
1-(4-fluoro-1,3-benzothiazol-2-yl)-N-[(4-sulfamoylphenyl)methyl]azetidine-3-carboxamide
CID 90604534
1-(4-fluoro-1,3-benzothiazol-2-yl)-N-[(3-methoxyphenyl)methyl]azetidine-3-carboxamide
CID 90604509
1-(4-fluoro-1,3-benzothiazol-2-yl)-N-[2-(2-methylimidazol-1-yl)ethyl]piperidine-4-carboxamide
CID 90609443
1-(4-fluoro-1,3-benzothiazol-2-yl)-N-(4-methylsulfonylphenyl)azetidine-3-carboxamide
CID 52908068
N-(4-butylphenyl)-1-(4-fluoro-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 90604444
N-(2,2-difluoroethyl)-1-(4-methylsulfanyl-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 175650065
2-[(4-chloro-1,3-benzothiazol-2-yl)-methylamino]-N-[3-(6-oxopyridazin-1-yl)propyl]acetamide
CID 71790417
1-(4-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 90610427
1-(4-fluoro-1,3-benzothiazol-2-yl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]azetidine-3-carboxamide
CID 90604491

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-1,3-benzothiazol-2-yl)-N-[3-(6-oxopyridazin-1-yl)propyl]azetidine-3-carboxamide?
The IUPAC name of 1-(4-fluoro-1,3-benzothiazol-2-yl)-N-[3-(6-oxopyridazin-1-yl)propyl]azetidine-3-carboxamide (CID 90604576) is 1-(4-fluoro-1,3-benzothiazol-2-yl)-N-[3-(6-oxopyridazin-1-yl)propyl]azetidine-3-carboxamide.
What is the SMILES notation for 1-(4-fluoro-1,3-benzothiazol-2-yl)-N-[3-(6-oxopyridazin-1-yl)propyl]azetidine-3-carboxamide?
The canonical SMILES for 1-(4-fluoro-1,3-benzothiazol-2-yl)-N-[3-(6-oxopyridazin-1-yl)propyl]azetidine-3-carboxamide is O=C(NCCCn1ncccc1=O)C1CN(c2nc3c(F)cccc3s2)C1.
What is the InChIKey of 1-(4-fluoro-1,3-benzothiazol-2-yl)-N-[3-(6-oxopyridazin-1-yl)propyl]azetidine-3-carboxamide?
The InChIKey is MWCUDEYCOQHNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O2S/c19-13-4-1-5-14-16(13)22-18(27-14)23-10-12(11-23)17(26)20-7-3-9-24-15(25)6-2-8-21-24/h1-2,4-6,8,12H,3,7,9-11H2,(H,20,26).
What are the key properties of 1-(4-fluoro-1,3-benzothiazol-2-yl)-N-[3-(6-oxopyridazin-1-yl)propyl]azetidine-3-carboxamide?
1-(4-fluoro-1,3-benzothiazol-2-yl)-N-[3-(6-oxopyridazin-1-yl)propyl]azetidine-3-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-1,3-benzothiazol-2-yl)-N-[3-(6-oxopyridazin-1-yl)propyl]azetidine-3-carboxamide is sourced from PubChem (CID 90604576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).