N-(1,3-benzothiazol-2-ylmethyl)-3-hydroxy-N-methylnaphthalene-2-carboxamide

C20H16N2O2S — CID 46655524

IUPACN-(1,3-benzothiazol-2-ylmethyl)-3-hydroxy-N-methylnaphthalene-2-carboxamide
SMILESCN(Cc1nc2ccccc2s1)C(=O)c1cc2ccccc2cc1O
InChIInChI=1S/C20H16N2O2S/c1-22(12-19-21-16-8-4-5-9-18(16)25-19)20(24)15-10-13-6-2-3-7-14(13)11-17(15)23/h2-11,23H,12H2,1H3
InChIKeyQCRFOFPTQWXEGX-UHFFFAOYSA-N
MW348.43 g/mol
LogP4.43
Rot. Bonds3

About N-(1,3-benzothiazol-2-ylmethyl)-3-hydroxy-N-methylnaphthalene-2-carboxamide

N-(1,3-benzothiazol-2-ylmethyl)-3-hydroxy-N-methylnaphthalene-2-carboxamide (PubChem CID 46655524) has the molecular formula C20H16N2O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-3-hydroxy-N-methylnaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-3-hydroxy-N-methylnaphthalene-2-carboxamide
PubChem CID46655524
Molecular FormulaC20H16N2O2S
Molecular Weight348.43 g/mol
Exact Mass348.09
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-3-hydroxy-N-methylnaphthalene-2-carboxamide
SMILESCN(Cc1nc2ccccc2s1)C(=O)c1cc2ccccc2cc1O
InChIInChI=1S/C20H16N2O2S/c1-22(12-19-21-16-8-4-5-9-18(16)25-19)20(24)15-10-13-6-2-3-7-14(13)11-17(15)23/h2-11,23H,12H2,1H3
InChIKeyQCRFOFPTQWXEGX-UHFFFAOYSA-N
XLogP4.43
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-3-hydroxy-N-methylnaphthalene-2-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-3-hydroxy-N-methylnaphthalene-2-carboxamide (CID 46655524) is N-(1,3-benzothiazol-2-ylmethyl)-3-hydroxy-N-methylnaphthalene-2-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-3-hydroxy-N-methylnaphthalene-2-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-3-hydroxy-N-methylnaphthalene-2-carboxamide is CN(Cc1nc2ccccc2s1)C(=O)c1cc2ccccc2cc1O.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-3-hydroxy-N-methylnaphthalene-2-carboxamide?
The InChIKey is QCRFOFPTQWXEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2S/c1-22(12-19-21-16-8-4-5-9-18(16)25-19)20(24)15-10-13-6-2-3-7-14(13)11-17(15)23/h2-11,23H,12H2,1H3.
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-3-hydroxy-N-methylnaphthalene-2-carboxamide?
N-(1,3-benzothiazol-2-ylmethyl)-3-hydroxy-N-methylnaphthalene-2-carboxamide has a molecular weight of 348.43 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)-3-hydroxy-N-methylnaphthalene-2-carboxamide is sourced from PubChem (CID 46655524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).