N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)acetamide

C17H16N2O3S — CID 2597029

IUPACN-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)Nc2nc3ccc(OC)cc3s2)c1
InChIInChI=1S/C17H16N2O3S/c1-21-12-5-3-4-11(8-12)9-16(20)19-17-18-14-7-6-13(22-2)10-15(14)23-17/h3-8,10H,9H2,1-2H3,(H,18,19,20)
InChIKeyJODUYCWFAROOEK-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.49
Rot. Bonds5

About N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)acetamide

N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)acetamide (PubChem CID 2597029) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)acetamide
PubChem CID2597029
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC NameN-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)Nc2nc3ccc(OC)cc3s2)c1
InChIInChI=1S/C17H16N2O3S/c1-21-12-5-3-4-11(8-12)9-16(20)19-17-18-14-7-6-13(22-2)10-15(14)23-17/h3-8,10H,9H2,1-2H3,(H,18,19,20)
InChIKeyJODUYCWFAROOEK-UHFFFAOYSA-N
XLogP3.49
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)acetamide?
The IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)acetamide (CID 2597029) is N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)acetamide.
What is the SMILES notation for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)acetamide?
The canonical SMILES for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)acetamide is COc1cccc(CC(=O)Nc2nc3ccc(OC)cc3s2)c1.
What is the InChIKey of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)acetamide?
The InChIKey is JODUYCWFAROOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-21-12-5-3-4-11(8-12)9-16(20)19-17-18-14-7-6-13(22-2)10-15(14)23-17/h3-8,10H,9H2,1-2H3,(H,18,19,20).
What are the key properties of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)acetamide?
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)acetamide has a molecular weight of 328.39 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 2597029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).