3-(1,3-benzothiazol-4-yloxy)-N-[1-(5-methylpyridazin-3-yl)azetidin-3-yl]cyclobutane-1-carboxamide

C20H21N5O2S — CID 139369060

IUPAC3-(1,3-benzothiazol-4-yloxy)-N-[1-(5-methylpyridazin-3-yl)azetidin-3-yl]cyclobutane-1-carboxamide
SMILESCc1cnnc(N2CC(NC(=O)C3CC(Oc4cccc5scnc45)C3)C2)c1
InChIInChI=1S/C20H21N5O2S/c1-12-5-18(24-22-8-12)25-9-14(10-25)23-20(26)13-6-15(7-13)27-16-3-2-4-17-19(16)21-11-28-17/h2-5,8,11,13-15H,6-7,9-10H2,1H3,(H,23,26)
InChIKeyDZEBHPNIGPXFEE-UHFFFAOYSA-N
MW395.49 g/mol
LogP2.56
Rot. Bonds5

About 3-(1,3-benzothiazol-4-yloxy)-N-[1-(5-methylpyridazin-3-yl)azetidin-3-yl]cyclobutane-1-carboxamide

3-(1,3-benzothiazol-4-yloxy)-N-[1-(5-methylpyridazin-3-yl)azetidin-3-yl]cyclobutane-1-carboxamide (PubChem CID 139369060) has the molecular formula C20H21N5O2S and a molecular weight of 395.49 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-4-yloxy)-N-[1-(5-methylpyridazin-3-yl)azetidin-3-yl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-(1,3-benzothiazol-4-yloxy)-N-[1-(5-methylpyridazin-3-yl)azetidin-3-yl]cyclobutane-1-carboxamide
PubChem CID139369060
Molecular FormulaC20H21N5O2S
Molecular Weight395.49 g/mol
Exact Mass395.14
IUPAC Name3-(1,3-benzothiazol-4-yloxy)-N-[1-(5-methylpyridazin-3-yl)azetidin-3-yl]cyclobutane-1-carboxamide
SMILESCc1cnnc(N2CC(NC(=O)C3CC(Oc4cccc5scnc45)C3)C2)c1
InChIInChI=1S/C20H21N5O2S/c1-12-5-18(24-22-8-12)25-9-14(10-25)23-20(26)13-6-15(7-13)27-16-3-2-4-17-19(16)21-11-28-17/h2-5,8,11,13-15H,6-7,9-10H2,1H3,(H,23,26)
InChIKeyDZEBHPNIGPXFEE-UHFFFAOYSA-N
XLogP2.56
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.49
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-4-yloxy)-N-[1-(5-methylpyridazin-3-yl)azetidin-3-yl]cyclobutane-1-carboxamide?
The IUPAC name of 3-(1,3-benzothiazol-4-yloxy)-N-[1-(5-methylpyridazin-3-yl)azetidin-3-yl]cyclobutane-1-carboxamide (CID 139369060) is 3-(1,3-benzothiazol-4-yloxy)-N-[1-(5-methylpyridazin-3-yl)azetidin-3-yl]cyclobutane-1-carboxamide.
What is the SMILES notation for 3-(1,3-benzothiazol-4-yloxy)-N-[1-(5-methylpyridazin-3-yl)azetidin-3-yl]cyclobutane-1-carboxamide?
The canonical SMILES for 3-(1,3-benzothiazol-4-yloxy)-N-[1-(5-methylpyridazin-3-yl)azetidin-3-yl]cyclobutane-1-carboxamide is Cc1cnnc(N2CC(NC(=O)C3CC(Oc4cccc5scnc45)C3)C2)c1.
What is the InChIKey of 3-(1,3-benzothiazol-4-yloxy)-N-[1-(5-methylpyridazin-3-yl)azetidin-3-yl]cyclobutane-1-carboxamide?
The InChIKey is DZEBHPNIGPXFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2S/c1-12-5-18(24-22-8-12)25-9-14(10-25)23-20(26)13-6-15(7-13)27-16-3-2-4-17-19(16)21-11-28-17/h2-5,8,11,13-15H,6-7,9-10H2,1H3,(H,23,26).
What are the key properties of 3-(1,3-benzothiazol-4-yloxy)-N-[1-(5-methylpyridazin-3-yl)azetidin-3-yl]cyclobutane-1-carboxamide?
3-(1,3-benzothiazol-4-yloxy)-N-[1-(5-methylpyridazin-3-yl)azetidin-3-yl]cyclobutane-1-carboxamide has a molecular weight of 395.49 g/mol, XLogP of 2.56, 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-(5-methylpyridazin-3-yl)azetidin-3-yl]cyclobutane-1-carboxamide is sourced from PubChem (CID 139369060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).