[3-(1,3-benzothiazol-2-yloxy)azetidin-1-yl]-(1H-indol-3-yl)methanone

C19H15N3O2S — CID 71796198

IUPAC[3-(1,3-benzothiazol-2-yloxy)azetidin-1-yl]-(1H-indol-3-yl)methanone
SMILESO=C(c1c[nH]c2ccccc12)N1CC(Oc2nc3ccccc3s2)C1
InChIInChI=1S/C19H15N3O2S/c23-18(14-9-20-15-6-2-1-5-13(14)15)22-10-12(11-22)24-19-21-16-7-3-4-8-17(16)25-19/h1-9,12,20H,10-11H2
InChIKeyLEMRZXVMQHVOER-UHFFFAOYSA-N
MW349.42 g/mol
LogP3.68
Rot. Bonds3

About [3-(1,3-benzothiazol-2-yloxy)azetidin-1-yl]-(1H-indol-3-yl)methanone

[3-(1,3-benzothiazol-2-yloxy)azetidin-1-yl]-(1H-indol-3-yl)methanone (PubChem CID 71796198) has the molecular formula C19H15N3O2S and a molecular weight of 349.42 g/mol. Its IUPAC name is [3-(1,3-benzothiazol-2-yloxy)azetidin-1-yl]-(1H-indol-3-yl)methanone.

Molecular Properties

Compound Name[3-(1,3-benzothiazol-2-yloxy)azetidin-1-yl]-(1H-indol-3-yl)methanone
PubChem CID71796198
Molecular FormulaC19H15N3O2S
Molecular Weight349.42 g/mol
Exact Mass349.09
IUPAC Name[3-(1,3-benzothiazol-2-yloxy)azetidin-1-yl]-(1H-indol-3-yl)methanone
SMILESO=C(c1c[nH]c2ccccc12)N1CC(Oc2nc3ccccc3s2)C1
InChIInChI=1S/C19H15N3O2S/c23-18(14-9-20-15-6-2-1-5-13(14)15)22-10-12(11-22)24-19-21-16-7-3-4-8-17(16)25-19/h1-9,12,20H,10-11H2
InChIKeyLEMRZXVMQHVOER-UHFFFAOYSA-N
XLogP3.68
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(1,3-benzothiazol-2-yloxy)azetidin-1-yl]-(1H-indol-3-yl)methanone?
The IUPAC name of [3-(1,3-benzothiazol-2-yloxy)azetidin-1-yl]-(1H-indol-3-yl)methanone (CID 71796198) is [3-(1,3-benzothiazol-2-yloxy)azetidin-1-yl]-(1H-indol-3-yl)methanone.
What is the SMILES notation for [3-(1,3-benzothiazol-2-yloxy)azetidin-1-yl]-(1H-indol-3-yl)methanone?
The canonical SMILES for [3-(1,3-benzothiazol-2-yloxy)azetidin-1-yl]-(1H-indol-3-yl)methanone is O=C(c1c[nH]c2ccccc12)N1CC(Oc2nc3ccccc3s2)C1.
What is the InChIKey of [3-(1,3-benzothiazol-2-yloxy)azetidin-1-yl]-(1H-indol-3-yl)methanone?
The InChIKey is LEMRZXVMQHVOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2S/c23-18(14-9-20-15-6-2-1-5-13(14)15)22-10-12(11-22)24-19-21-16-7-3-4-8-17(16)25-19/h1-9,12,20H,10-11H2.
What are the key properties of [3-(1,3-benzothiazol-2-yloxy)azetidin-1-yl]-(1H-indol-3-yl)methanone?
[3-(1,3-benzothiazol-2-yloxy)azetidin-1-yl]-(1H-indol-3-yl)methanone has a molecular weight of 349.42 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,3-benzothiazol-2-yloxy)azetidin-1-yl]-(1H-indol-3-yl)methanone is sourced from PubChem (CID 71796198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).