N-(1,3-benzothiazol-2-ylmethyl)-2-hydroxy-4-methylbenzamide

C16H14N2O2S — CID 31100846

IUPACN-(1,3-benzothiazol-2-ylmethyl)-2-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2nc3ccccc3s2)c(O)c1
InChIInChI=1S/C16H14N2O2S/c1-10-6-7-11(13(19)8-10)16(20)17-9-15-18-12-4-2-3-5-14(12)21-15/h2-8,19H,9H2,1H3,(H,17,20)
InChIKeyFBHRELLPOUETDF-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.24
Rot. Bonds3

About N-(1,3-benzothiazol-2-ylmethyl)-2-hydroxy-4-methylbenzamide

N-(1,3-benzothiazol-2-ylmethyl)-2-hydroxy-4-methylbenzamide (PubChem CID 31100846) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-2-hydroxy-4-methylbenzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-2-hydroxy-4-methylbenzamide
PubChem CID31100846
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-2-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2nc3ccccc3s2)c(O)c1
InChIInChI=1S/C16H14N2O2S/c1-10-6-7-11(13(19)8-10)16(20)17-9-15-18-12-4-2-3-5-14(12)21-15/h2-8,19H,9H2,1H3,(H,17,20)
InChIKeyFBHRELLPOUETDF-UHFFFAOYSA-N
XLogP3.24
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-2-hydroxy-4-methoxybenzamide
CID 31100874
N-(1,3-benzothiazol-2-ylmethyl)-5-bromo-2-hydroxybenzamide
CID 43004261
1,3-benzothiazol-2-ylmethyl 2-hydroxy-4-methylbenzoate
CID 2611498
N-(1,3-benzothiazol-2-ylmethyl)-5-methylthiophene-2-carboxamide
CID 18110635
N-(1,3-benzothiazol-2-ylmethyl)-3-methyl-2-nitrobenzamide
CID 18110543
N-(1,3-benzothiazol-2-ylmethyl)-2-(4-methylphenyl)-2-oxoacetamide
CID 38285207
N-(1,3-benzothiazol-2-ylmethyl)-2,5-dimethylpyrazole-3-carboxamide
CID 11637801
1-(2-amino-5-methylphenyl)-2-(1,3-benzothiazol-2-yl)ethanone
CID 116581404
N-(1,3-benzothiazol-2-ylmethyl)-2-bromo-5-fluorobenzamide
CID 18110803
N-(1,3-benzothiazol-2-ylmethyl)-3,5-dimethoxy-4-methylbenzamide
CID 38283922
1-(1,3-benzothiazol-2-ylmethyl)-3-methylurea
CID 23548661
N-(1,3-benzothiazol-2-ylmethyl)-2,4,5-trimethylfuran-3-carboxamide
CID 38284719

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-2-hydroxy-4-methylbenzamide?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-2-hydroxy-4-methylbenzamide (CID 31100846) is N-(1,3-benzothiazol-2-ylmethyl)-2-hydroxy-4-methylbenzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-2-hydroxy-4-methylbenzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-2-hydroxy-4-methylbenzamide is Cc1ccc(C(=O)NCc2nc3ccccc3s2)c(O)c1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-2-hydroxy-4-methylbenzamide?
The InChIKey is FBHRELLPOUETDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-10-6-7-11(13(19)8-10)16(20)17-9-15-18-12-4-2-3-5-14(12)21-15/h2-8,19H,9H2,1H3,(H,17,20).
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-2-hydroxy-4-methylbenzamide?
N-(1,3-benzothiazol-2-ylmethyl)-2-hydroxy-4-methylbenzamide has a molecular weight of 298.37 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)-2-hydroxy-4-methylbenzamide is sourced from PubChem (CID 31100846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).