N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-ethoxybenzamide

C18H18N2O4S — CID 7543004

IUPACN-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2nc3cc(OC)c(OC)cc3s2)cc1
InChIInChI=1S/C18H18N2O4S/c1-4-24-12-7-5-11(6-8-12)17(21)20-18-19-13-9-14(22-2)15(23-3)10-16(13)25-18/h5-10H,4H2,1-3H3,(H,19,20,21)
InChIKeyXBMAUMGHOUEBBJ-UHFFFAOYSA-N
MW358.42 g/mol
LogP3.96
Rot. Bonds6

About N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-ethoxybenzamide

N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-ethoxybenzamide (PubChem CID 7543004) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-ethoxybenzamide.

Molecular Properties

Compound NameN-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-ethoxybenzamide
PubChem CID7543004
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC NameN-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2nc3cc(OC)c(OC)cc3s2)cc1
InChIInChI=1S/C18H18N2O4S/c1-4-24-12-7-5-11(6-8-12)17(21)20-18-19-13-9-14(22-2)15(23-3)10-16(13)25-18/h5-10H,4H2,1-3H3,(H,19,20,21)
InChIKeyXBMAUMGHOUEBBJ-UHFFFAOYSA-N
XLogP3.96
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-ethylsulfonylbenzamide
CID 7295315
N-[(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]-4-ethoxybenzamide
CID 3340646
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-iodobenzamide
CID 5186892
3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methoxybenzamide
CID 18854268
4-(difluoromethoxy)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methoxybenzamide
CID 8882972
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(2-oxo-2-phenylacetyl)benzamide
CID 19209994
[4-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl] acetate
CID 4626865
4-benzoyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 2332417
N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-methoxypyridine-3-carboxamide
CID 27283138
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 24651533
4-(dimethylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 3598330

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-ethoxybenzamide?
The IUPAC name of N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-ethoxybenzamide (CID 7543004) is N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-ethoxybenzamide.
What is the SMILES notation for N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-ethoxybenzamide?
The canonical SMILES for N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-ethoxybenzamide is CCOc1ccc(C(=O)Nc2nc3cc(OC)c(OC)cc3s2)cc1.
What is the InChIKey of N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-ethoxybenzamide?
The InChIKey is XBMAUMGHOUEBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S/c1-4-24-12-7-5-11(6-8-12)17(21)20-18-19-13-9-14(22-2)15(23-3)10-16(13)25-18/h5-10H,4H2,1-3H3,(H,19,20,21).
What are the key properties of N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-ethoxybenzamide?
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-ethoxybenzamide has a molecular weight of 358.42 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-ethoxybenzamide is sourced from PubChem (CID 7543004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).