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

C17H16N2O3S — CID 8882491

IUPACN-(1,3-benzothiazol-2-yl)-3-ethoxy-4-methoxybenzamide
SMILESCCOc1cc(C(=O)Nc2nc3ccccc3s2)ccc1OC
InChIInChI=1S/C17H16N2O3S/c1-3-22-14-10-11(8-9-13(14)21-2)16(20)19-17-18-12-6-4-5-7-15(12)23-17/h4-10H,3H2,1-2H3,(H,18,19,20)
InChIKeyYSNYGTXXIZLBER-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.96
Rot. Bonds5

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

N-(1,3-benzothiazol-2-yl)-3-ethoxy-4-methoxybenzamide (PubChem CID 8882491) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-3-ethoxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-3-ethoxy-4-methoxybenzamide
PubChem CID8882491
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC NameN-(1,3-benzothiazol-2-yl)-3-ethoxy-4-methoxybenzamide
SMILESCCOc1cc(C(=O)Nc2nc3ccccc3s2)ccc1OC
InChIInChI=1S/C17H16N2O3S/c1-3-22-14-10-11(8-9-13(14)21-2)16(20)19-17-18-12-6-4-5-7-15(12)23-17/h4-10H,3H2,1-2H3,(H,18,19,20)
InChIKeyYSNYGTXXIZLBER-UHFFFAOYSA-N
XLogP3.96
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-yl)-4-butoxy-3-methoxybenzamide
CID 8882733
N-(1,3-benzothiazol-2-yl)-4-ethoxy-3-nitrobenzamide
CID 9391634
N-(1,3-benzothiazol-2-yl)-3,4,5-triethoxybenzamide
CID 4233786
N-(1,3-benzothiazol-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide
CID 2676970
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-ethoxy-4-methoxybenzamide
CID 9119417
methyl 2-[(3,4-dimethoxybenzoyl)amino]-1,3-benzothiazole-6-carboxylate
CID 4250162
N-[2-[(3,4-dimethoxybenzoyl)amino]-1,3-benzothiazol-6-yl]-3,4-dimethoxybenzamide
CID 17273906
3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methoxybenzamide
CID 18854268
N-(1,3-benzothiazol-2-ylcarbamothioyl)-3,4,5-triethoxybenzamide
CID 1339348
N-(6-fluoro-1,3-benzothiazol-2-yl)-3,4-dimethoxybenzamide
CID 2996365
N-(1,3-benzothiazol-2-yl)-6-methoxypyridine-3-carboxamide
CID 17476486
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-4-ethoxybenzamide
CID 7543004

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-3-ethoxy-4-methoxybenzamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-3-ethoxy-4-methoxybenzamide (CID 8882491) is N-(1,3-benzothiazol-2-yl)-3-ethoxy-4-methoxybenzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-3-ethoxy-4-methoxybenzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-3-ethoxy-4-methoxybenzamide is CCOc1cc(C(=O)Nc2nc3ccccc3s2)ccc1OC.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-3-ethoxy-4-methoxybenzamide?
The InChIKey is YSNYGTXXIZLBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-3-22-14-10-11(8-9-13(14)21-2)16(20)19-17-18-12-6-4-5-7-15(12)23-17/h4-10H,3H2,1-2H3,(H,18,19,20).
What are the key properties of N-(1,3-benzothiazol-2-yl)-3-ethoxy-4-methoxybenzamide?
N-(1,3-benzothiazol-2-yl)-3-ethoxy-4-methoxybenzamide has a molecular weight of 328.39 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-3-ethoxy-4-methoxybenzamide is sourced from PubChem (CID 8882491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).