N-(1,3-benzothiazol-6-yl)-3-hydroxy-4-methylbenzamide

C15H12N2O2S — CID 103956522

IUPACN-(1,3-benzothiazol-6-yl)-3-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc3ncsc3c2)cc1O
InChIInChI=1S/C15H12N2O2S/c1-9-2-3-10(6-13(9)18)15(19)17-11-4-5-12-14(7-11)20-8-16-12/h2-8,18H,1H3,(H,17,19)
InChIKeyKHBRHHAYONNWAC-UHFFFAOYSA-N
MW284.34 g/mol
LogP3.56
Rot. Bonds2

About N-(1,3-benzothiazol-6-yl)-3-hydroxy-4-methylbenzamide

N-(1,3-benzothiazol-6-yl)-3-hydroxy-4-methylbenzamide (PubChem CID 103956522) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is N-(1,3-benzothiazol-6-yl)-3-hydroxy-4-methylbenzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-6-yl)-3-hydroxy-4-methylbenzamide
PubChem CID103956522
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC NameN-(1,3-benzothiazol-6-yl)-3-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc3ncsc3c2)cc1O
InChIInChI=1S/C15H12N2O2S/c1-9-2-3-10(6-13(9)18)15(19)17-11-4-5-12-14(7-11)20-8-16-12/h2-8,18H,1H3,(H,17,19)
InChIKeyKHBRHHAYONNWAC-UHFFFAOYSA-N
XLogP3.56
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(1,3-benzothiazol-6-yl)-3-hydroxybenzamide
CID 107802439
N-(1,3-benzothiazol-6-yl)-4-methylbenzamide
CID 2337792
N-(1,3-benzothiazol-6-yl)-3,5-dihydroxybenzamide
CID 104938868
N-(1,3-benzothiazol-5-yl)-1,3-benzothiazole-5-carboxamide
CID 131934820
N-(1,3-benzothiazol-6-yl)-3-bromo-4-fluorobenzamide
CID 103706835
N-[3-(diethylsulfamoyl)-4-methylphenyl]-1,3-benzothiazole-6-carboxamide
CID 9101706
N-(2,6-dimethylphenyl)-1,3-benzothiazole-6-carboxamide
CID 16546690
N-(4-cyanophenyl)-1,3-benzothiazole-6-carboxamide
CID 2092315
methyl 3-(1,3-benzothiazole-6-carbonylamino)benzoate
CID 4797242
N-(1,3-benzothiazol-6-yl)-4-methyl-3-[(2-morpholin-4-ylacetyl)amino]benzamide
CID 172661523
N-(3-hydroxy-4-methylphenyl)-4-methylbenzamide
CID 837218
2-amino-N-(1,3-benzothiazol-6-yl)-3-methylbenzamide
CID 107802478

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-6-yl)-3-hydroxy-4-methylbenzamide?
The IUPAC name of N-(1,3-benzothiazol-6-yl)-3-hydroxy-4-methylbenzamide (CID 103956522) is N-(1,3-benzothiazol-6-yl)-3-hydroxy-4-methylbenzamide.
What is the SMILES notation for N-(1,3-benzothiazol-6-yl)-3-hydroxy-4-methylbenzamide?
The canonical SMILES for N-(1,3-benzothiazol-6-yl)-3-hydroxy-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc3ncsc3c2)cc1O.
What is the InChIKey of N-(1,3-benzothiazol-6-yl)-3-hydroxy-4-methylbenzamide?
The InChIKey is KHBRHHAYONNWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S/c1-9-2-3-10(6-13(9)18)15(19)17-11-4-5-12-14(7-11)20-8-16-12/h2-8,18H,1H3,(H,17,19).
What are the key properties of N-(1,3-benzothiazol-6-yl)-3-hydroxy-4-methylbenzamide?
N-(1,3-benzothiazol-6-yl)-3-hydroxy-4-methylbenzamide has a molecular weight of 284.34 g/mol, XLogP of 3.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-6-yl)-3-hydroxy-4-methylbenzamide is sourced from PubChem (CID 103956522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).