3-(1,3-benzothiazol-4-yloxy)-N-(1-methylpyrazol-3-yl)azetidine-1-carboxamide

C15H15N5O2S — CID 134431536

IUPAC3-(1,3-benzothiazol-4-yloxy)-N-(1-methylpyrazol-3-yl)azetidine-1-carboxamide
SMILESCn1ccc(NC(=O)N2CC(Oc3cccc4scnc34)C2)n1
InChIInChI=1S/C15H15N5O2S/c1-19-6-5-13(18-19)17-15(21)20-7-10(8-20)22-11-3-2-4-12-14(11)16-9-23-12/h2-6,9-10H,7-8H2,1H3,(H,17,18,21)
InChIKeyXFQACEQTBZPTDK-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.32
Rot. Bonds3

About 3-(1,3-benzothiazol-4-yloxy)-N-(1-methylpyrazol-3-yl)azetidine-1-carboxamide

3-(1,3-benzothiazol-4-yloxy)-N-(1-methylpyrazol-3-yl)azetidine-1-carboxamide (PubChem CID 134431536) has the molecular formula C15H15N5O2S and a molecular weight of 329.38 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-4-yloxy)-N-(1-methylpyrazol-3-yl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-(1,3-benzothiazol-4-yloxy)-N-(1-methylpyrazol-3-yl)azetidine-1-carboxamide
PubChem CID134431536
Molecular FormulaC15H15N5O2S
Molecular Weight329.38 g/mol
Exact Mass329.09
IUPAC Name3-(1,3-benzothiazol-4-yloxy)-N-(1-methylpyrazol-3-yl)azetidine-1-carboxamide
SMILESCn1ccc(NC(=O)N2CC(Oc3cccc4scnc34)C2)n1
InChIInChI=1S/C15H15N5O2S/c1-19-6-5-13(18-19)17-15(21)20-7-10(8-20)22-11-3-2-4-12-14(11)16-9-23-12/h2-6,9-10H,7-8H2,1H3,(H,17,18,21)
InChIKeyXFQACEQTBZPTDK-UHFFFAOYSA-N
XLogP2.32
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-4-yloxy)-N-(1-methylpyrazol-3-yl)azetidine-1-carboxamide?
The IUPAC name of 3-(1,3-benzothiazol-4-yloxy)-N-(1-methylpyrazol-3-yl)azetidine-1-carboxamide (CID 134431536) is 3-(1,3-benzothiazol-4-yloxy)-N-(1-methylpyrazol-3-yl)azetidine-1-carboxamide.
What is the SMILES notation for 3-(1,3-benzothiazol-4-yloxy)-N-(1-methylpyrazol-3-yl)azetidine-1-carboxamide?
The canonical SMILES for 3-(1,3-benzothiazol-4-yloxy)-N-(1-methylpyrazol-3-yl)azetidine-1-carboxamide is Cn1ccc(NC(=O)N2CC(Oc3cccc4scnc34)C2)n1.
What is the InChIKey of 3-(1,3-benzothiazol-4-yloxy)-N-(1-methylpyrazol-3-yl)azetidine-1-carboxamide?
The InChIKey is XFQACEQTBZPTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2S/c1-19-6-5-13(18-19)17-15(21)20-7-10(8-20)22-11-3-2-4-12-14(11)16-9-23-12/h2-6,9-10H,7-8H2,1H3,(H,17,18,21).
What are the key properties of 3-(1,3-benzothiazol-4-yloxy)-N-(1-methylpyrazol-3-yl)azetidine-1-carboxamide?
3-(1,3-benzothiazol-4-yloxy)-N-(1-methylpyrazol-3-yl)azetidine-1-carboxamide has a molecular weight of 329.38 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzothiazol-4-yloxy)-N-(1-methylpyrazol-3-yl)azetidine-1-carboxamide is sourced from PubChem (CID 134431536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).