N-(1,3-benzothiazol-2-yl)-3,4-dimethoxybenzamide

C16H14N2O3S — CID 786111

IUPACN-(1,3-benzothiazol-2-yl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nc3ccccc3s2)cc1OC
InChIInChI=1S/C16H14N2O3S/c1-20-12-8-7-10(9-13(12)21-2)15(19)18-16-17-11-5-3-4-6-14(11)22-16/h3-9H,1-2H3,(H,17,18,19)
InChIKeyZAOVZQWTWKHZCZ-UHFFFAOYSA-N
MW314.37 g/mol
LogP3.57
Rot. Bonds4

About N-(1,3-benzothiazol-2-yl)-3,4-dimethoxybenzamide

N-(1,3-benzothiazol-2-yl)-3,4-dimethoxybenzamide (PubChem CID 786111) has the molecular formula C16H14N2O3S and a molecular weight of 314.37 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-3,4-dimethoxybenzamide
PubChem CID786111
Molecular FormulaC16H14N2O3S
Molecular Weight314.37 g/mol
Exact Mass314.07
IUPAC NameN-(1,3-benzothiazol-2-yl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nc3ccccc3s2)cc1OC
InChIInChI=1S/C16H14N2O3S/c1-20-12-8-7-10(9-13(12)21-2)15(19)18-16-17-11-5-3-4-6-14(11)22-16/h3-9H,1-2H3,(H,17,18,19)
InChIKeyZAOVZQWTWKHZCZ-UHFFFAOYSA-N
XLogP3.57
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-Benzothiazol-2-YL)-4-methoxybenzamide
CID 675912
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
KY-02111
CID 8582409
4-Methoxy-N-(4-phenyl-2-thiazolyl)benzamide
CID 668712
N1-(1,3-benzothiazol-2-yl)-2-{2-methoxy-5-[(E)-3-oxo-3-(3,4,5-trimethoxyphenyl)-1-propenyl]phenoxy}acetamide
CID 60148068
N1-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]-2-2-methoxy-5-[(E)-3-oxo-3-(3,4,5-trimethoxyphenyl)-1-propenyl]phenoxyacetamide
CID 60148075
N-(4-methyl-1,3-thiazol-2-yl)-1,3-benzodioxole-5-carboxamide
CID 673339
2-Hydroxy-N-(6-methoxy-benzothiazol-2-yl)-benzamide
CID 782771
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-1,3-benzodioxole-5-carboxamide
CID 803577
N-(1,3-benzothiazol-2-yl)-3-methoxybenzamide
CID 669445
N-(1,3-benzothiazol-2-yl)-2-methoxybenzamide
CID 708625
2-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 748071

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-3,4-dimethoxybenzamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-3,4-dimethoxybenzamide (CID 786111) is N-(1,3-benzothiazol-2-yl)-3,4-dimethoxybenzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-3,4-dimethoxybenzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2nc3ccccc3s2)cc1OC.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-3,4-dimethoxybenzamide?
The InChIKey is ZAOVZQWTWKHZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3S/c1-20-12-8-7-10(9-13(12)21-2)15(19)18-16-17-11-5-3-4-6-14(11)22-16/h3-9H,1-2H3,(H,17,18,19).
What are the key properties of N-(1,3-benzothiazol-2-yl)-3,4-dimethoxybenzamide?
N-(1,3-benzothiazol-2-yl)-3,4-dimethoxybenzamide has a molecular weight of 314.37 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-3,4-dimethoxybenzamide is sourced from PubChem (CID 786111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).