2,6-dimethoxy-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide

C18H18N2O4S — CID 7193103

IUPAC2,6-dimethoxy-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1nc2c(OC)ccc(C)c2s1
InChIInChI=1S/C18H18N2O4S/c1-10-8-9-13(24-4)15-16(10)25-18(19-15)20-17(21)14-11(22-2)6-5-7-12(14)23-3/h5-9H,1-4H3,(H,19,20,21)
InChIKeyIEKBOULXTJVNGI-UHFFFAOYSA-N
MW358.42 g/mol
LogP3.88
Rot. Bonds5

About 2,6-dimethoxy-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide

2,6-dimethoxy-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide (PubChem CID 7193103) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is 2,6-dimethoxy-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide
PubChem CID7193103
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC Name2,6-dimethoxy-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1nc2c(OC)ccc(C)c2s1
InChIInChI=1S/C18H18N2O4S/c1-10-8-9-13(24-4)15-16(10)25-18(19-15)20-17(21)14-11(22-2)6-5-7-12(14)23-3/h5-9H,1-4H3,(H,19,20,21)
InChIKeyIEKBOULXTJVNGI-UHFFFAOYSA-N
XLogP3.88
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methoxy-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide
CID 7192662
N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide
CID 7192788
2,6-difluoro-N'-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzohydrazide
CID 43953256
N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-6-methyl-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 56592906
1-(3,5-dimethylphenyl)-3-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)urea
CID 121081034
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)benzamide
CID 7192494
4-(diethylamino)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide
CID 7152602
3,4,5-triethoxy-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide
CID 40885029
2-(4-ethylphenyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)acetamide
CID 16824377
1-cyclopentyl-3-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)urea
CID 56592932
N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-4-oxochromene-3-carboxamide
CID 7172929
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-methoxybenzamide
CID 7172907

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 2,6-dimethoxy-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide (CID 7193103) is 2,6-dimethoxy-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 2,6-dimethoxy-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 2,6-dimethoxy-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide is COc1cccc(OC)c1C(=O)Nc1nc2c(OC)ccc(C)c2s1.
What is the InChIKey of 2,6-dimethoxy-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is IEKBOULXTJVNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S/c1-10-8-9-13(24-4)15-16(10)25-18(19-15)20-17(21)14-11(22-2)6-5-7-12(14)23-3/h5-9H,1-4H3,(H,19,20,21).
What are the key properties of 2,6-dimethoxy-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide?
2,6-dimethoxy-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 358.42 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 7193103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).