1-(1,3-benzothiazol-2-ylmethoxy)-N-cyclobutylnaphthalene-2-carboxamide

C23H20N2O2S — CID 66701396

IUPAC1-(1,3-benzothiazol-2-ylmethoxy)-N-cyclobutylnaphthalene-2-carboxamide
SMILESO=C(NC1CCC1)c1ccc2ccccc2c1OCc1nc2ccccc2s1
InChIInChI=1S/C23H20N2O2S/c26-23(24-16-7-5-8-16)18-13-12-15-6-1-2-9-17(15)22(18)27-14-21-25-19-10-3-4-11-20(19)28-21/h1-4,6,9-13,16H,5,7-8,14H2,(H,24,26)
InChIKeyCGGMXYYUQOPGIA-UHFFFAOYSA-N
MW388.49 g/mol
LogP5.31
Rot. Bonds5

About 1-(1,3-benzothiazol-2-ylmethoxy)-N-cyclobutylnaphthalene-2-carboxamide

1-(1,3-benzothiazol-2-ylmethoxy)-N-cyclobutylnaphthalene-2-carboxamide (PubChem CID 66701396) has the molecular formula C23H20N2O2S and a molecular weight of 388.49 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-ylmethoxy)-N-cyclobutylnaphthalene-2-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-ylmethoxy)-N-cyclobutylnaphthalene-2-carboxamide
PubChem CID66701396
Molecular FormulaC23H20N2O2S
Molecular Weight388.49 g/mol
Exact Mass388.12
IUPAC Name1-(1,3-benzothiazol-2-ylmethoxy)-N-cyclobutylnaphthalene-2-carboxamide
SMILESO=C(NC1CCC1)c1ccc2ccccc2c1OCc1nc2ccccc2s1
InChIInChI=1S/C23H20N2O2S/c26-23(24-16-7-5-8-16)18-13-12-15-6-1-2-9-17(15)22(18)27-14-21-25-19-10-3-4-11-20(19)28-21/h1-4,6,9-13,16H,5,7-8,14H2,(H,24,26)
InChIKeyCGGMXYYUQOPGIA-UHFFFAOYSA-N
XLogP5.31
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.49
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-ylmethoxy)-N-cyclobutylnaphthalene-2-carboxamide?
The IUPAC name of 1-(1,3-benzothiazol-2-ylmethoxy)-N-cyclobutylnaphthalene-2-carboxamide (CID 66701396) is 1-(1,3-benzothiazol-2-ylmethoxy)-N-cyclobutylnaphthalene-2-carboxamide.
What is the SMILES notation for 1-(1,3-benzothiazol-2-ylmethoxy)-N-cyclobutylnaphthalene-2-carboxamide?
The canonical SMILES for 1-(1,3-benzothiazol-2-ylmethoxy)-N-cyclobutylnaphthalene-2-carboxamide is O=C(NC1CCC1)c1ccc2ccccc2c1OCc1nc2ccccc2s1.
What is the InChIKey of 1-(1,3-benzothiazol-2-ylmethoxy)-N-cyclobutylnaphthalene-2-carboxamide?
The InChIKey is CGGMXYYUQOPGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2S/c26-23(24-16-7-5-8-16)18-13-12-15-6-1-2-9-17(15)22(18)27-14-21-25-19-10-3-4-11-20(19)28-21/h1-4,6,9-13,16H,5,7-8,14H2,(H,24,26).
What are the key properties of 1-(1,3-benzothiazol-2-ylmethoxy)-N-cyclobutylnaphthalene-2-carboxamide?
1-(1,3-benzothiazol-2-ylmethoxy)-N-cyclobutylnaphthalene-2-carboxamide has a molecular weight of 388.49 g/mol, XLogP of 5.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-ylmethoxy)-N-cyclobutylnaphthalene-2-carboxamide is sourced from PubChem (CID 66701396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).