N-(2-hydroxy-2-naphthalen-1-ylethyl)-1,3-benzothiazole-2-carboxamide

C20H16N2O2S — CID 56764115

IUPACN-(2-hydroxy-2-naphthalen-1-ylethyl)-1,3-benzothiazole-2-carboxamide
SMILESO=C(NCC(O)c1cccc2ccccc12)c1nc2ccccc2s1
InChIInChI=1S/C20H16N2O2S/c23-17(15-9-5-7-13-6-1-2-8-14(13)15)12-21-19(24)20-22-16-10-3-4-11-18(16)25-20/h1-11,17,23H,12H2,(H,21,24)
InChIKeyAZZBXZOTUUOAOC-UHFFFAOYSA-N
MW348.43 g/mol
LogP3.91
Rot. Bonds4

About N-(2-hydroxy-2-naphthalen-1-ylethyl)-1,3-benzothiazole-2-carboxamide

N-(2-hydroxy-2-naphthalen-1-ylethyl)-1,3-benzothiazole-2-carboxamide (PubChem CID 56764115) has the molecular formula C20H16N2O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is N-(2-hydroxy-2-naphthalen-1-ylethyl)-1,3-benzothiazole-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-naphthalen-1-ylethyl)-1,3-benzothiazole-2-carboxamide
PubChem CID56764115
Molecular FormulaC20H16N2O2S
Molecular Weight348.43 g/mol
Exact Mass348.09
IUPAC NameN-(2-hydroxy-2-naphthalen-1-ylethyl)-1,3-benzothiazole-2-carboxamide
SMILESO=C(NCC(O)c1cccc2ccccc12)c1nc2ccccc2s1
InChIInChI=1S/C20H16N2O2S/c23-17(15-9-5-7-13-6-1-2-8-14(13)15)12-21-19(24)20-22-16-10-3-4-11-18(16)25-20/h1-11,17,23H,12H2,(H,21,24)
InChIKeyAZZBXZOTUUOAOC-UHFFFAOYSA-N
XLogP3.91
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-benzothiazole-2-carboxamide
CID 45504069
N-[2-(2-hydroxypropylamino)-2-oxoethyl]-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide
CID 68221691
1,3-Benzothiazol-2-ylmethyl-[(2R)-2-hydroxy-3-phenylpropyl]-methylazanium
CID 34760714
N-{[(R)-3-isochromanyl]methyl}-N-methyl-1,3-benzothiazole-2-carboxamide
CID 100752075
6-hydroxy-N-[(4-phenylphenyl)methyl]-1,3-benzothiazole-2-carboxamide
CID 177375466
N-(2,2-diphenylethyl)-6-hydroxy-1,3-benzothiazole-2-carboxamide
CID 177650511
N-(2-cyclopropyl-2-hydroxy-2-(thiophen-2-yl)ethyl)benzo[d]thiazole-2-carboxamide
CID 71781718
N-(2-hydroxy-2-(1-methyl-1H-indol-3-yl)ethyl)benzo[d]thiazole-2-carboxamide
CID 71788667
N-(3-hydroxy-3-(thiophen-3-yl)propyl)benzo[d]thiazole-2-carboxamide
CID 86264099
N-((1-hydroxy-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl)benzo[d]thiazole-2-carboxamide
CID 86267200
N-{[(S)-2-hydroxy-1,2,3,4-tetrahydro-2-naphthyl]methyl}-1,3-benzothiazole-2-carboxamide
CID 97042615
N-[(R)-2-hydroxy-2-[p-(methylthio)phenyl]ethyl]-1,3-benzothiazole-2-carboxamide
CID 97416838

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-naphthalen-1-ylethyl)-1,3-benzothiazole-2-carboxamide?
The IUPAC name of N-(2-hydroxy-2-naphthalen-1-ylethyl)-1,3-benzothiazole-2-carboxamide (CID 56764115) is N-(2-hydroxy-2-naphthalen-1-ylethyl)-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-naphthalen-1-ylethyl)-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-naphthalen-1-ylethyl)-1,3-benzothiazole-2-carboxamide is O=C(NCC(O)c1cccc2ccccc12)c1nc2ccccc2s1.
What is the InChIKey of N-(2-hydroxy-2-naphthalen-1-ylethyl)-1,3-benzothiazole-2-carboxamide?
The InChIKey is AZZBXZOTUUOAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2S/c23-17(15-9-5-7-13-6-1-2-8-14(13)15)12-21-19(24)20-22-16-10-3-4-11-18(16)25-20/h1-11,17,23H,12H2,(H,21,24).
What are the key properties of N-(2-hydroxy-2-naphthalen-1-ylethyl)-1,3-benzothiazole-2-carboxamide?
N-(2-hydroxy-2-naphthalen-1-ylethyl)-1,3-benzothiazole-2-carboxamide has a molecular weight of 348.43 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-naphthalen-1-ylethyl)-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 56764115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).