N-(1,3-benzothiazol-2-yl)-2-methoxybenzamide

C15H12N2O2S — CID 708625

IUPACN-(1,3-benzothiazol-2-yl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C15H12N2O2S/c1-19-12-8-4-2-6-10(12)14(18)17-15-16-11-7-3-5-9-13(11)20-15/h2-9H,1H3,(H,16,17,18)
InChIKeyUPIAKWZLXTWRNR-UHFFFAOYSA-N
MW284.34 g/mol
LogP3.56
Rot. Bonds3

About N-(1,3-benzothiazol-2-yl)-2-methoxybenzamide

N-(1,3-benzothiazol-2-yl)-2-methoxybenzamide (PubChem CID 708625) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-methoxybenzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-methoxybenzamide
PubChem CID708625
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C15H12N2O2S/c1-19-12-8-4-2-6-10(12)14(18)17-15-16-11-7-3-5-9-13(11)20-15/h2-9H,1H3,(H,16,17,18)
InChIKeyUPIAKWZLXTWRNR-UHFFFAOYSA-N
XLogP3.56
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
2-Propenamide, 2-cyano-N-(6-methoxy-2-benzothiazolyl)-3-phenyl-
CID 5469111
2-Hydroxy-N-(6-methoxy-benzothiazol-2-yl)-benzamide
CID 782771
N-(1,3-benzothiazol-2-yl)-3-methoxybenzamide
CID 669445
N-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 739344
2-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 748071
4-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 750191
N-(1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide
CID 788928
N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2-methoxybenzamide
CID 7189882
2-(1,3-Benzothiazol-2-ylmethoxy)benzamide
CID 7642112
N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 718830

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-methoxybenzamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-methoxybenzamide (CID 708625) is N-(1,3-benzothiazol-2-yl)-2-methoxybenzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-methoxybenzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-methoxybenzamide is COc1ccccc1C(=O)Nc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-methoxybenzamide?
The InChIKey is UPIAKWZLXTWRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S/c1-19-12-8-4-2-6-10(12)14(18)17-15-16-11-7-3-5-9-13(11)20-15/h2-9H,1H3,(H,16,17,18).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-methoxybenzamide?
N-(1,3-benzothiazol-2-yl)-2-methoxybenzamide has a molecular weight of 284.34 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-methoxybenzamide is sourced from PubChem (CID 708625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).