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

C15H12N2O2S — CID 669445

IUPACN-(1,3-benzothiazol-2-yl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2nc3ccccc3s2)c1
InChIInChI=1S/C15H12N2O2S/c1-19-11-6-4-5-10(9-11)14(18)17-15-16-12-7-2-3-8-13(12)20-15/h2-9H,1H3,(H,16,17,18)
InChIKeyXGJCCDDANIQYMA-UHFFFAOYSA-N
MW284.34 g/mol
LogP3.56
Rot. Bonds3

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

N-(1,3-benzothiazol-2-yl)-3-methoxybenzamide (PubChem CID 669445) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-3-methoxybenzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-3-methoxybenzamide
PubChem CID669445
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC NameN-(1,3-benzothiazol-2-yl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2nc3ccccc3s2)c1
InChIInChI=1S/C15H12N2O2S/c1-19-11-6-4-5-10(9-11)14(18)17-15-16-12-7-2-3-8-13(12)20-15/h2-9H,1H3,(H,16,17,18)
InChIKeyXGJCCDDANIQYMA-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
3-methoxy-N-(4-methylthiazol-2-yl)benzamide
CID 2679292
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
1-Benzothiazol-2-yl-3-(4-methoxy-phenyl)-urea
CID 950701
N-(6-methoxybenzo[d]thiazol-2-yl)acetamide
CID 2306705
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-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylbutanamide
CID 3254649
N-(1,3-benzothiazol-2-yl)-2-methoxybenzamide
CID 708625
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

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-3-methoxybenzamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-3-methoxybenzamide (CID 669445) is N-(1,3-benzothiazol-2-yl)-3-methoxybenzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-3-methoxybenzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-3-methoxybenzamide is COc1cccc(C(=O)Nc2nc3ccccc3s2)c1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-3-methoxybenzamide?
The InChIKey is XGJCCDDANIQYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S/c1-19-11-6-4-5-10(9-11)14(18)17-15-16-12-7-2-3-8-13(12)20-15/h2-9H,1H3,(H,16,17,18).
What are the key properties of N-(1,3-benzothiazol-2-yl)-3-methoxybenzamide?
N-(1,3-benzothiazol-2-yl)-3-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)-3-methoxybenzamide is sourced from PubChem (CID 669445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).