N-[2-hydroxy-2-(4-phenylphenyl)propyl]-1,3-benzothiazole-2-carboxamide

C23H20N2O2S — CID 90497526

IUPACN-[2-hydroxy-2-(4-phenylphenyl)propyl]-1,3-benzothiazole-2-carboxamide
SMILESCC(O)(CNC(=O)c1nc2ccccc2s1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H20N2O2S/c1-23(27,18-13-11-17(12-14-18)16-7-3-2-4-8-16)15-24-21(26)22-25-19-9-5-6-10-20(19)28-22/h2-14,27H,15H2,1H3,(H,24,26)
InChIKeyYNMZIIPBPLQQML-UHFFFAOYSA-N
MW388.49 g/mol
LogP4.60
Rot. Bonds5

About N-[2-hydroxy-2-(4-phenylphenyl)propyl]-1,3-benzothiazole-2-carboxamide

N-[2-hydroxy-2-(4-phenylphenyl)propyl]-1,3-benzothiazole-2-carboxamide (PubChem CID 90497526) has the molecular formula C23H20N2O2S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[2-hydroxy-2-(4-phenylphenyl)propyl]-1,3-benzothiazole-2-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(4-phenylphenyl)propyl]-1,3-benzothiazole-2-carboxamide
PubChem CID90497526
Molecular FormulaC23H20N2O2S
Molecular Weight388.49 g/mol
Exact Mass388.12
IUPAC NameN-[2-hydroxy-2-(4-phenylphenyl)propyl]-1,3-benzothiazole-2-carboxamide
SMILESCC(O)(CNC(=O)c1nc2ccccc2s1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H20N2O2S/c1-23(27,18-13-11-17(12-14-18)16-7-3-2-4-8-16)15-24-21(26)22-25-19-9-5-6-10-20(19)28-22/h2-14,27H,15H2,1H3,(H,24,26)
InChIKeyYNMZIIPBPLQQML-UHFFFAOYSA-N
XLogP4.60
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-3-methoxy-2-phenylpropyl)-1,3-benzothiazole-2-carboxamide
CID 122243128
N-[(2S)-2-hydroxy-2-methyl-4-methylsulfanylbutyl]-1,3-benzothiazole-2-carboxamide
CID 95984337
N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-1,3-benzothiazole-2-carboxamide
CID 95379399
N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-1,3-benzothiazole-2-carboxamide
CID 99872590
N-[(2S)-2-hydroxy-2-(4-phenylphenyl)propyl]-4-methoxybenzamide
CID 95982815
N-[2-hydroxy-2-(4-phenylphenyl)propyl]-2-methylbenzamide
CID 121085663
2,6-difluoro-N-[2-hydroxy-2-(4-phenylphenyl)propyl]benzamide
CID 71781812
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-1,3-benzothiazole-2-carboxamide
CID 2377381
N-[2-hydroxy-2-(4-phenylphenyl)propyl]-1,2-oxazole-5-carboxamide
CID 90497502
[(1S)-2-(1,3-benzothiazole-2-carbonylamino)-1-phenylethyl]-dimethylazanium
CID 2377380
N-[2-hydroxy-2-(4-phenylphenyl)propyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 71781801
N-phenyl-1,3-benzothiazole-2-carboxamide
CID 900706

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(4-phenylphenyl)propyl]-1,3-benzothiazole-2-carboxamide?
The IUPAC name of N-[2-hydroxy-2-(4-phenylphenyl)propyl]-1,3-benzothiazole-2-carboxamide (CID 90497526) is N-[2-hydroxy-2-(4-phenylphenyl)propyl]-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for N-[2-hydroxy-2-(4-phenylphenyl)propyl]-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for N-[2-hydroxy-2-(4-phenylphenyl)propyl]-1,3-benzothiazole-2-carboxamide is CC(O)(CNC(=O)c1nc2ccccc2s1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[2-hydroxy-2-(4-phenylphenyl)propyl]-1,3-benzothiazole-2-carboxamide?
The InChIKey is YNMZIIPBPLQQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2S/c1-23(27,18-13-11-17(12-14-18)16-7-3-2-4-8-16)15-24-21(26)22-25-19-9-5-6-10-20(19)28-22/h2-14,27H,15H2,1H3,(H,24,26).
What are the key properties of N-[2-hydroxy-2-(4-phenylphenyl)propyl]-1,3-benzothiazole-2-carboxamide?
N-[2-hydroxy-2-(4-phenylphenyl)propyl]-1,3-benzothiazole-2-carboxamide has a molecular weight of 388.49 g/mol, XLogP of 4.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(4-phenylphenyl)propyl]-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 90497526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).