N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide

C19H20N2O5S — CID 2596990

IUPACN-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1ccc2nc(NC(=O)Cc3cc(OC)c(OC)c(OC)c3)sc2c1
InChIInChI=1S/C19H20N2O5S/c1-23-12-5-6-13-16(10-12)27-19(20-13)21-17(22)9-11-7-14(24-2)18(26-4)15(8-11)25-3/h5-8,10H,9H2,1-4H3,(H,20,21,22)
InChIKeyWLZFXMFGEYCWGU-UHFFFAOYSA-N
MW388.45 g/mol
LogP3.51
Rot. Bonds7

About N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide

N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 2596990) has the molecular formula C19H20N2O5S and a molecular weight of 388.45 g/mol. Its IUPAC name is N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID2596990
Molecular FormulaC19H20N2O5S
Molecular Weight388.45 g/mol
Exact Mass388.11
IUPAC NameN-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1ccc2nc(NC(=O)Cc3cc(OC)c(OC)c(OC)c3)sc2c1
InChIInChI=1S/C19H20N2O5S/c1-23-12-5-6-13-16(10-12)27-19(20-13)21-17(22)9-11-7-14(24-2)18(26-4)15(8-11)25-3/h5-8,10H,9H2,1-4H3,(H,20,21,22)
InChIKeyWLZFXMFGEYCWGU-UHFFFAOYSA-N
XLogP3.51
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide (CID 2596990) is N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide is COc1ccc2nc(NC(=O)Cc3cc(OC)c(OC)c(OC)c3)sc2c1.
What is the InChIKey of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is WLZFXMFGEYCWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5S/c1-23-12-5-6-13-16(10-12)27-19(20-13)21-17(22)9-11-7-14(24-2)18(26-4)15(8-11)25-3/h5-8,10H,9H2,1-4H3,(H,20,21,22).
What are the key properties of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide?
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 388.45 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 2596990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).