N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide

C18H18N2O4S — CID 1091092

IUPACN-(6-ethoxy-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide
SMILESCCOc1ccc2nc(NC(=O)c3ccc(OC)cc3OC)sc2c1
InChIInChI=1S/C18H18N2O4S/c1-4-24-12-6-8-14-16(10-12)25-18(19-14)20-17(21)13-7-5-11(22-2)9-15(13)23-3/h5-10H,4H2,1-3H3,(H,19,20,21)
InChIKeyPOMZIUMMHWXNQE-UHFFFAOYSA-N
MW358.42 g/mol
LogP3.96
Rot. Bonds6

About N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide

N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide (PubChem CID 1091092) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide
PubChem CID1091092
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide
SMILESCCOc1ccc2nc(NC(=O)c3ccc(OC)cc3OC)sc2c1
InChIInChI=1S/C18H18N2O4S/c1-4-24-12-6-8-14-16(10-12)25-18(19-14)20-17(21)13-7-5-11(22-2)9-15(13)23-3/h5-10H,4H2,1-3H3,(H,19,20,21)
InChIKeyPOMZIUMMHWXNQE-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

4-ethoxy-N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-methoxy-2-nitrobenzamide
CID 8928038
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-phenoxybenzamide
CID 3536818
3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methoxybenzamide
CID 18854268
N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-2,4-dimethoxybenzamide
CID 4062389
N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-methoxy-1H-indole-2-carboxamide
CID 38429837
2-(4-ethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 8719441
N-[6-(dibutylsulfamoyl)-1,3-benzothiazol-2-yl]-2,4-dimethoxybenzamide
CID 4575833
5-bromo-2-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 1341416
4-(difluoromethoxy)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methoxybenzamide
CID 8882972
N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-methoxypyridine-3-carboxamide
CID 27283138
N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5-dimethylbenzamide
CID 2834320
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682

Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide?
The IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide (CID 1091092) is N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide.
What is the SMILES notation for N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide?
The canonical SMILES for N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide is CCOc1ccc2nc(NC(=O)c3ccc(OC)cc3OC)sc2c1.
What is the InChIKey of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide?
The InChIKey is POMZIUMMHWXNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S/c1-4-24-12-6-8-14-16(10-12)25-18(19-14)20-17(21)13-7-5-11(22-2)9-15(13)23-3/h5-10H,4H2,1-3H3,(H,19,20,21).
What are the key properties of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide?
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide 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-(6-ethoxy-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide is sourced from PubChem (CID 1091092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).