3-(1,3-benzothiazol-4-yloxy)-N-(1-pyridazin-3-ylazetidin-3-yl)cyclobutane-1-carboxamide

C19H19N5O2S — CID 139369160

IUPAC3-(1,3-benzothiazol-4-yloxy)-N-(1-pyridazin-3-ylazetidin-3-yl)cyclobutane-1-carboxamide
SMILESO=C(NC1CN(c2cccnn2)C1)C1CC(Oc2cccc3scnc23)C1
InChIInChI=1S/C19H19N5O2S/c25-19(22-13-9-24(10-13)17-5-2-6-21-23-17)12-7-14(8-12)26-15-3-1-4-16-18(15)20-11-27-16/h1-6,11-14H,7-10H2,(H,22,25)
InChIKeyAORUIBHJPSGSAT-UHFFFAOYSA-N
MW381.46 g/mol
LogP2.25
Rot. Bonds5

About 3-(1,3-benzothiazol-4-yloxy)-N-(1-pyridazin-3-ylazetidin-3-yl)cyclobutane-1-carboxamide

3-(1,3-benzothiazol-4-yloxy)-N-(1-pyridazin-3-ylazetidin-3-yl)cyclobutane-1-carboxamide (PubChem CID 139369160) has the molecular formula C19H19N5O2S and a molecular weight of 381.46 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-4-yloxy)-N-(1-pyridazin-3-ylazetidin-3-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-(1,3-benzothiazol-4-yloxy)-N-(1-pyridazin-3-ylazetidin-3-yl)cyclobutane-1-carboxamide
PubChem CID139369160
Molecular FormulaC19H19N5O2S
Molecular Weight381.46 g/mol
Exact Mass381.13
IUPAC Name3-(1,3-benzothiazol-4-yloxy)-N-(1-pyridazin-3-ylazetidin-3-yl)cyclobutane-1-carboxamide
SMILESO=C(NC1CN(c2cccnn2)C1)C1CC(Oc2cccc3scnc23)C1
InChIInChI=1S/C19H19N5O2S/c25-19(22-13-9-24(10-13)17-5-2-6-21-23-17)12-7-14(8-12)26-15-3-1-4-16-18(15)20-11-27-16/h1-6,11-14H,7-10H2,(H,22,25)
InChIKeyAORUIBHJPSGSAT-UHFFFAOYSA-N
XLogP2.25
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl 3-[[3-(1,3-benzothiazol-4-yloxy)cyclobutanecarbonyl]amino]azetidine-1-carboxylate
CID 139369217
3-[(6-fluoro-1,3-benzothiazol-4-yl)oxy]-N-[1-(5-fluoro-2-pyridinyl)azetidin-3-yl]cyclobutane-1-carboxamide
CID 139369022
3-(1,3-benzothiazol-4-yloxy)-N-[4-(2-methoxyethoxy)cyclohexyl]cyclobutane-1-carboxamide
CID 134430274
3-[(6-fluoro-1,3-benzothiazol-4-yl)oxy]-N-(1-pyrazin-2-ylazetidin-3-yl)cyclobutane-1-carboxamide
CID 139369041
N-[1-[3-(1,3-benzothiazol-4-yloxy)cyclobutyl]ethenyl]-1-(5-fluoropyrimidin-2-yl)azetidin-3-amine
CID 134430621
3-(1,3-benzothiazol-4-yloxy)-N-(1H-pyrazol-5-yl)cyclobutane-1-carboxamide
CID 139369130
3-(1,3-benzothiazol-4-yloxy)-N-[1-(5-fluoro-2-pyridinyl)azetidin-3-yl]azetidine-1-carboxamide
CID 139373902
3-[(6-fluoro-1,3-benzothiazol-4-yl)oxy]-N-[1-(5-methyl-1-oxidopyridin-1-ium-2-yl)azetidin-3-yl]cyclobutane-1-carboxamide
CID 139369175
3-(1,3-benzothiazol-4-yloxy)-N-piperidin-4-ylazetidine-1-carboxamide
CID 134430043
N-cyclobutyl-1-pyridazin-3-ylpyrrolidine-3-carboxamide
CID 110269436
3-[(6-fluoro-1,3-benzothiazol-4-yl)oxy]-N-[1-(5-fluoro-2-pyridinyl)azetidin-3-yl]azetidine-1-carboxamide
CID 134430396
N-[1-(4-cyano-2-pyridinyl)azetidin-3-yl]-3-(5-fluoro-2-methoxyphenoxy)cyclobutane-1-carboxamide
CID 139369067

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-4-yloxy)-N-(1-pyridazin-3-ylazetidin-3-yl)cyclobutane-1-carboxamide?
The IUPAC name of 3-(1,3-benzothiazol-4-yloxy)-N-(1-pyridazin-3-ylazetidin-3-yl)cyclobutane-1-carboxamide (CID 139369160) is 3-(1,3-benzothiazol-4-yloxy)-N-(1-pyridazin-3-ylazetidin-3-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for 3-(1,3-benzothiazol-4-yloxy)-N-(1-pyridazin-3-ylazetidin-3-yl)cyclobutane-1-carboxamide?
The canonical SMILES for 3-(1,3-benzothiazol-4-yloxy)-N-(1-pyridazin-3-ylazetidin-3-yl)cyclobutane-1-carboxamide is O=C(NC1CN(c2cccnn2)C1)C1CC(Oc2cccc3scnc23)C1.
What is the InChIKey of 3-(1,3-benzothiazol-4-yloxy)-N-(1-pyridazin-3-ylazetidin-3-yl)cyclobutane-1-carboxamide?
The InChIKey is AORUIBHJPSGSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2S/c25-19(22-13-9-24(10-13)17-5-2-6-21-23-17)12-7-14(8-12)26-15-3-1-4-16-18(15)20-11-27-16/h1-6,11-14H,7-10H2,(H,22,25).
What are the key properties of 3-(1,3-benzothiazol-4-yloxy)-N-(1-pyridazin-3-ylazetidin-3-yl)cyclobutane-1-carboxamide?
3-(1,3-benzothiazol-4-yloxy)-N-(1-pyridazin-3-ylazetidin-3-yl)cyclobutane-1-carboxamide has a molecular weight of 381.46 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzothiazol-4-yloxy)-N-(1-pyridazin-3-ylazetidin-3-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 139369160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).