3-[(4-methoxy-1,3-benzothiazol-2-yl)oxy]-N-(thiophen-2-ylmethyl)azetidine-1-carboxamide

C17H17N3O3S2 — CID 71796315

IUPAC3-[(4-methoxy-1,3-benzothiazol-2-yl)oxy]-N-(thiophen-2-ylmethyl)azetidine-1-carboxamide
SMILESCOc1cccc2sc(OC3CN(C(=O)NCc4cccs4)C3)nc12
InChIInChI=1S/C17H17N3O3S2/c1-22-13-5-2-6-14-15(13)19-17(25-14)23-11-9-20(10-11)16(21)18-8-12-4-3-7-24-12/h2-7,11H,8-10H2,1H3,(H,18,21)
InChIKeyQPVBVJRGLNPPPA-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.34
Rot. Bonds5

About 3-[(4-methoxy-1,3-benzothiazol-2-yl)oxy]-N-(thiophen-2-ylmethyl)azetidine-1-carboxamide

3-[(4-methoxy-1,3-benzothiazol-2-yl)oxy]-N-(thiophen-2-ylmethyl)azetidine-1-carboxamide (PubChem CID 71796315) has the molecular formula C17H17N3O3S2 and a molecular weight of 375.48 g/mol. Its IUPAC name is 3-[(4-methoxy-1,3-benzothiazol-2-yl)oxy]-N-(thiophen-2-ylmethyl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-[(4-methoxy-1,3-benzothiazol-2-yl)oxy]-N-(thiophen-2-ylmethyl)azetidine-1-carboxamide
PubChem CID71796315
Molecular FormulaC17H17N3O3S2
Molecular Weight375.48 g/mol
Exact Mass375.07
IUPAC Name3-[(4-methoxy-1,3-benzothiazol-2-yl)oxy]-N-(thiophen-2-ylmethyl)azetidine-1-carboxamide
SMILESCOc1cccc2sc(OC3CN(C(=O)NCc4cccs4)C3)nc12
InChIInChI=1S/C17H17N3O3S2/c1-22-13-5-2-6-14-15(13)19-17(25-14)23-11-9-20(10-11)16(21)18-8-12-4-3-7-24-12/h2-7,11H,8-10H2,1H3,(H,18,21)
InChIKeyQPVBVJRGLNPPPA-UHFFFAOYSA-N
XLogP3.34
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxy-1,3-benzothiazol-2-yl)oxy]-N-(thiophen-2-ylmethyl)azetidine-1-carboxamide?
The IUPAC name of 3-[(4-methoxy-1,3-benzothiazol-2-yl)oxy]-N-(thiophen-2-ylmethyl)azetidine-1-carboxamide (CID 71796315) is 3-[(4-methoxy-1,3-benzothiazol-2-yl)oxy]-N-(thiophen-2-ylmethyl)azetidine-1-carboxamide.
What is the SMILES notation for 3-[(4-methoxy-1,3-benzothiazol-2-yl)oxy]-N-(thiophen-2-ylmethyl)azetidine-1-carboxamide?
The canonical SMILES for 3-[(4-methoxy-1,3-benzothiazol-2-yl)oxy]-N-(thiophen-2-ylmethyl)azetidine-1-carboxamide is COc1cccc2sc(OC3CN(C(=O)NCc4cccs4)C3)nc12.
What is the InChIKey of 3-[(4-methoxy-1,3-benzothiazol-2-yl)oxy]-N-(thiophen-2-ylmethyl)azetidine-1-carboxamide?
The InChIKey is QPVBVJRGLNPPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S2/c1-22-13-5-2-6-14-15(13)19-17(25-14)23-11-9-20(10-11)16(21)18-8-12-4-3-7-24-12/h2-7,11H,8-10H2,1H3,(H,18,21).
What are the key properties of 3-[(4-methoxy-1,3-benzothiazol-2-yl)oxy]-N-(thiophen-2-ylmethyl)azetidine-1-carboxamide?
3-[(4-methoxy-1,3-benzothiazol-2-yl)oxy]-N-(thiophen-2-ylmethyl)azetidine-1-carboxamide has a molecular weight of 375.48 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxy-1,3-benzothiazol-2-yl)oxy]-N-(thiophen-2-ylmethyl)azetidine-1-carboxamide is sourced from PubChem (CID 71796315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).