3-(1,3-benzothiazol-4-yloxy)-N-piperidin-4-ylazetidine-1-carboxamide

C16H20N4O2S — CID 134430043

IUPAC3-(1,3-benzothiazol-4-yloxy)-N-piperidin-4-ylazetidine-1-carboxamide
SMILESO=C(NC1CCNCC1)N1CC(Oc2cccc3scnc23)C1
InChIInChI=1S/C16H20N4O2S/c21-16(19-11-4-6-17-7-5-11)20-8-12(9-20)22-13-2-1-3-14-15(13)18-10-23-14/h1-3,10-12,17H,4-9H2,(H,19,21)
InChIKeyVZYAOAHUCBVYGN-UHFFFAOYSA-N
MW332.43 g/mol
LogP1.82
Rot. Bonds3

About 3-(1,3-benzothiazol-4-yloxy)-N-piperidin-4-ylazetidine-1-carboxamide

3-(1,3-benzothiazol-4-yloxy)-N-piperidin-4-ylazetidine-1-carboxamide (PubChem CID 134430043) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-4-yloxy)-N-piperidin-4-ylazetidine-1-carboxamide.

Molecular Properties

Compound Name3-(1,3-benzothiazol-4-yloxy)-N-piperidin-4-ylazetidine-1-carboxamide
PubChem CID134430043
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name3-(1,3-benzothiazol-4-yloxy)-N-piperidin-4-ylazetidine-1-carboxamide
SMILESO=C(NC1CCNCC1)N1CC(Oc2cccc3scnc23)C1
InChIInChI=1S/C16H20N4O2S/c21-16(19-11-4-6-17-7-5-11)20-8-12(9-20)22-13-2-1-3-14-15(13)18-10-23-14/h1-3,10-12,17H,4-9H2,(H,19,21)
InChIKeyVZYAOAHUCBVYGN-UHFFFAOYSA-N
XLogP1.82
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-4-yloxy)-N-piperidin-4-ylazetidine-1-carboxamide?
The IUPAC name of 3-(1,3-benzothiazol-4-yloxy)-N-piperidin-4-ylazetidine-1-carboxamide (CID 134430043) is 3-(1,3-benzothiazol-4-yloxy)-N-piperidin-4-ylazetidine-1-carboxamide.
What is the SMILES notation for 3-(1,3-benzothiazol-4-yloxy)-N-piperidin-4-ylazetidine-1-carboxamide?
The canonical SMILES for 3-(1,3-benzothiazol-4-yloxy)-N-piperidin-4-ylazetidine-1-carboxamide is O=C(NC1CCNCC1)N1CC(Oc2cccc3scnc23)C1.
What is the InChIKey of 3-(1,3-benzothiazol-4-yloxy)-N-piperidin-4-ylazetidine-1-carboxamide?
The InChIKey is VZYAOAHUCBVYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c21-16(19-11-4-6-17-7-5-11)20-8-12(9-20)22-13-2-1-3-14-15(13)18-10-23-14/h1-3,10-12,17H,4-9H2,(H,19,21).
What are the key properties of 3-(1,3-benzothiazol-4-yloxy)-N-piperidin-4-ylazetidine-1-carboxamide?
3-(1,3-benzothiazol-4-yloxy)-N-piperidin-4-ylazetidine-1-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzothiazol-4-yloxy)-N-piperidin-4-ylazetidine-1-carboxamide is sourced from PubChem (CID 134430043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).