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

C21H16N2O2S — CID 177375466

IUPAC6-hydroxy-N-[(4-phenylphenyl)methyl]-1,3-benzothiazole-2-carboxamide
SMILESO=C(NCc1ccc(-c2ccccc2)cc1)c1nc2ccc(O)cc2s1
InChIInChI=1S/C21H16N2O2S/c24-17-10-11-18-19(12-17)26-21(23-18)20(25)22-13-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-12,24H,13H2,(H,22,25)
InChIKeyOXCWPTNAFRRAHB-UHFFFAOYSA-N
MW360.44 g/mol
LogP4.60
Rot. Bonds4

About 6-hydroxy-N-[(4-phenylphenyl)methyl]-1,3-benzothiazole-2-carboxamide

6-hydroxy-N-[(4-phenylphenyl)methyl]-1,3-benzothiazole-2-carboxamide (PubChem CID 177375466) has the molecular formula C21H16N2O2S and a molecular weight of 360.44 g/mol. Its IUPAC name is 6-hydroxy-N-[(4-phenylphenyl)methyl]-1,3-benzothiazole-2-carboxamide.

Molecular Properties

Compound Name6-hydroxy-N-[(4-phenylphenyl)methyl]-1,3-benzothiazole-2-carboxamide
PubChem CID177375466
Molecular FormulaC21H16N2O2S
Molecular Weight360.44 g/mol
Exact Mass360.09
IUPAC Name6-hydroxy-N-[(4-phenylphenyl)methyl]-1,3-benzothiazole-2-carboxamide
SMILESO=C(NCc1ccc(-c2ccccc2)cc1)c1nc2ccc(O)cc2s1
InChIInChI=1S/C21H16N2O2S/c24-17-10-11-18-19(12-17)26-21(23-18)20(25)22-13-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-12,24H,13H2,(H,22,25)
InChIKeyOXCWPTNAFRRAHB-UHFFFAOYSA-N
XLogP4.60
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Flutemetamol F-18
CID 15950376
Flutemetamol
CID 10107393
2-(4'-(Methylamino)phenyl)-6-hydroxybenzothiazole
CID 10171487
11C-PiB
CID 2826731
(2S)-N-[5-carbamimidamido-1-(6-hydroxy-1,3-benzothiazol-2-yl)-1-oxopentan-2-yl]-1-[(2R)-2-(methylamino)-3-phenylpropanoyl]pyrrolidine-2-carboxamide
CID 23646609
2-(3'-Iodo-4'-methylaminophenyl)-6-hydroxybenzothiazole
CID 10339843
2-(4-Aminophenyl)benzo[d]thiazol-6-ol
CID 10444413
5-(1,3-benzothiazol-2-yl)-4-(4-hydroxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one
CID 4329974
N-(2-hydroxy-5-phenylphenyl)-1,3-benzothiazole-2-carboxamide
CID 44454593
2-[4-[Tritio(tritritiomethyl)amino]phenyl]-1,3-benzothiazol-6-ol
CID 54581518
H-Tyr-Tyr-Val-Arg-benzothiazol-2-yl
CID 118720348
H-Tyr-Phe-Val-Arg-benzothiazol-2-yl
CID 137639355

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-N-[(4-phenylphenyl)methyl]-1,3-benzothiazole-2-carboxamide?
The IUPAC name of 6-hydroxy-N-[(4-phenylphenyl)methyl]-1,3-benzothiazole-2-carboxamide (CID 177375466) is 6-hydroxy-N-[(4-phenylphenyl)methyl]-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for 6-hydroxy-N-[(4-phenylphenyl)methyl]-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for 6-hydroxy-N-[(4-phenylphenyl)methyl]-1,3-benzothiazole-2-carboxamide is O=C(NCc1ccc(-c2ccccc2)cc1)c1nc2ccc(O)cc2s1.
What is the InChIKey of 6-hydroxy-N-[(4-phenylphenyl)methyl]-1,3-benzothiazole-2-carboxamide?
The InChIKey is OXCWPTNAFRRAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O2S/c24-17-10-11-18-19(12-17)26-21(23-18)20(25)22-13-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-12,24H,13H2,(H,22,25).
What are the key properties of 6-hydroxy-N-[(4-phenylphenyl)methyl]-1,3-benzothiazole-2-carboxamide?
6-hydroxy-N-[(4-phenylphenyl)methyl]-1,3-benzothiazole-2-carboxamide has a molecular weight of 360.44 g/mol, XLogP of 4.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-N-[(4-phenylphenyl)methyl]-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 177375466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).