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

C16H14N2O3S — CID 31100874

IUPACN-(1,3-benzothiazol-2-ylmethyl)-2-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2nc3ccccc3s2)c(O)c1
InChIInChI=1S/C16H14N2O3S/c1-21-10-6-7-11(13(19)8-10)16(20)17-9-15-18-12-4-2-3-5-14(12)22-15/h2-8,19H,9H2,1H3,(H,17,20)
InChIKeyXHRCQBSCQLFVIV-UHFFFAOYSA-N
MW314.37 g/mol
LogP2.94
Rot. Bonds4

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

N-(1,3-benzothiazol-2-ylmethyl)-2-hydroxy-4-methoxybenzamide (PubChem CID 31100874) has the molecular formula C16H14N2O3S and a molecular weight of 314.37 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-2-hydroxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-2-hydroxy-4-methoxybenzamide
PubChem CID31100874
Molecular FormulaC16H14N2O3S
Molecular Weight314.37 g/mol
Exact Mass314.07
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-2-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2nc3ccccc3s2)c(O)c1
InChIInChI=1S/C16H14N2O3S/c1-21-10-6-7-11(13(19)8-10)16(20)17-9-15-18-12-4-2-3-5-14(12)22-15/h2-8,19H,9H2,1H3,(H,17,20)
InChIKeyXHRCQBSCQLFVIV-UHFFFAOYSA-N
XLogP2.94
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-2-hydroxy-4-methylbenzamide
CID 31100846
N-(1,3-benzothiazol-2-ylmethyl)-2-(4-methoxyphenyl)acetamide
CID 18110654
N-(1,3-benzothiazol-2-ylmethyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 55338840
N-(1,3-benzothiazol-2-ylmethyl)-5-bromo-2-hydroxybenzamide
CID 43004261
N-(1,3-benzothiazol-2-ylmethyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 134049696
N-(1,3-benzothiazol-2-ylmethyl)-3,5-dimethoxy-4-methylbenzamide
CID 38283922
(E)-N-(1,3-benzothiazol-2-ylmethyl)-3-(2,4-dimethoxyphenyl)prop-2-enamide
CID 38283573
N-(1,3-benzothiazol-2-ylmethyl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 55648003
2-hydroxy-N-[(3-hydroxyphenyl)methyl]-4-methoxybenzamide
CID 47292166
2-hydroxy-4-methoxy-N-(1,2-oxazol-3-ylmethyl)benzamide
CID 79486904
1-(1,3-benzothiazol-2-ylmethyl)-3-(2-methoxyethyl)urea
CID 47133738
N-(1,3-benzothiazol-2-ylmethyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]naphthalene-2-carboxamide
CID 38285185

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-2-hydroxy-4-methoxybenzamide?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-2-hydroxy-4-methoxybenzamide (CID 31100874) is N-(1,3-benzothiazol-2-ylmethyl)-2-hydroxy-4-methoxybenzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-2-hydroxy-4-methoxybenzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-2-hydroxy-4-methoxybenzamide is COc1ccc(C(=O)NCc2nc3ccccc3s2)c(O)c1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-2-hydroxy-4-methoxybenzamide?
The InChIKey is XHRCQBSCQLFVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3S/c1-21-10-6-7-11(13(19)8-10)16(20)17-9-15-18-12-4-2-3-5-14(12)22-15/h2-8,19H,9H2,1H3,(H,17,20).
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-2-hydroxy-4-methoxybenzamide?
N-(1,3-benzothiazol-2-ylmethyl)-2-hydroxy-4-methoxybenzamide has a molecular weight of 314.37 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)-2-hydroxy-4-methoxybenzamide is sourced from PubChem (CID 31100874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).