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

C17H15ClN2O3S — CID 18854268

IUPAC3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methoxybenzamide
SMILESCCOc1ccc2nc(NC(=O)c3ccc(OC)c(Cl)c3)sc2c1
InChIInChI=1S/C17H15ClN2O3S/c1-3-23-11-5-6-13-15(9-11)24-17(19-13)20-16(21)10-4-7-14(22-2)12(18)8-10/h4-9H,3H2,1-2H3,(H,19,20,21)
InChIKeyWXZNKJUVCSPQGN-UHFFFAOYSA-N
MW362.84 g/mol
LogP4.61
Rot. Bonds5

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

3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methoxybenzamide (PubChem CID 18854268) has the molecular formula C17H15ClN2O3S and a molecular weight of 362.84 g/mol. Its IUPAC name is 3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methoxybenzamide.

Molecular Properties

Compound Name3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methoxybenzamide
PubChem CID18854268
Molecular FormulaC17H15ClN2O3S
Molecular Weight362.84 g/mol
Exact Mass362.05
IUPAC Name3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methoxybenzamide
SMILESCCOc1ccc2nc(NC(=O)c3ccc(OC)c(Cl)c3)sc2c1
InChIInChI=1S/C17H15ClN2O3S/c1-3-23-11-5-6-13-15(9-11)24-17(19-13)20-16(21)10-4-7-14(22-2)12(18)8-10/h4-9H,3H2,1-2H3,(H,19,20,21)
InChIKeyWXZNKJUVCSPQGN-UHFFFAOYSA-N
XLogP4.61
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.84
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxybenzamide
CID 39951417
3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-fluorobenzamide
CID 141404414
4-(difluoromethoxy)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methoxybenzamide
CID 8882972
3-(3-chloro-4-methoxyphenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide
CID 167848378
3-(diethylsulfamoyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methoxybenzamide
CID 26251702
N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-methoxypyridine-3-carboxamide
CID 27283138
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-iodobenzamide
CID 5186892
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-ethoxybenzamide
CID 7543004
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(2-oxo-2-phenylacetyl)benzamide
CID 19209994
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide
CID 1091092
[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

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methoxybenzamide?
The IUPAC name of 3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methoxybenzamide (CID 18854268) is 3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methoxybenzamide.
What is the SMILES notation for 3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methoxybenzamide?
The canonical SMILES for 3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methoxybenzamide is CCOc1ccc2nc(NC(=O)c3ccc(OC)c(Cl)c3)sc2c1.
What is the InChIKey of 3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methoxybenzamide?
The InChIKey is WXZNKJUVCSPQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3S/c1-3-23-11-5-6-13-15(9-11)24-17(19-13)20-16(21)10-4-7-14(22-2)12(18)8-10/h4-9H,3H2,1-2H3,(H,19,20,21).
What are the key properties of 3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methoxybenzamide?
3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methoxybenzamide has a molecular weight of 362.84 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methoxybenzamide is sourced from PubChem (CID 18854268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).