N-benzyl-6-[2-(diethylamino)-2-oxoethoxy]-1,3-benzothiazole-2-carboxamide

C21H23N3O3S — CID 141486523

IUPACN-benzyl-6-[2-(diethylamino)-2-oxoethoxy]-1,3-benzothiazole-2-carboxamide
SMILESCCN(CC)C(=O)COc1ccc2nc(C(=O)NCc3ccccc3)sc2c1
InChIInChI=1S/C21H23N3O3S/c1-3-24(4-2)19(25)14-27-16-10-11-17-18(12-16)28-21(23-17)20(26)22-13-15-8-6-5-7-9-15/h5-12H,3-4,13-14H2,1-2H3,(H,22,26)
InChIKeyWPNBYHDIJHNMNV-UHFFFAOYSA-N
MW397.50 g/mol
LogP3.47
Rot. Bonds8

About N-benzyl-6-[2-(diethylamino)-2-oxoethoxy]-1,3-benzothiazole-2-carboxamide

N-benzyl-6-[2-(diethylamino)-2-oxoethoxy]-1,3-benzothiazole-2-carboxamide (PubChem CID 141486523) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-benzyl-6-[2-(diethylamino)-2-oxoethoxy]-1,3-benzothiazole-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-[2-(diethylamino)-2-oxoethoxy]-1,3-benzothiazole-2-carboxamide
PubChem CID141486523
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC NameN-benzyl-6-[2-(diethylamino)-2-oxoethoxy]-1,3-benzothiazole-2-carboxamide
SMILESCCN(CC)C(=O)COc1ccc2nc(C(=O)NCc3ccccc3)sc2c1
InChIInChI=1S/C21H23N3O3S/c1-3-24(4-2)19(25)14-27-16-10-11-17-18(12-16)28-21(23-17)20(26)22-13-15-8-6-5-7-9-15/h5-12H,3-4,13-14H2,1-2H3,(H,22,26)
InChIKeyWPNBYHDIJHNMNV-UHFFFAOYSA-N
XLogP3.47
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 6-[2-(diethylamino)-2-oxoethoxy]-1,3-benzothiazole-2-carboxylate
CID 141486544
N-benzyl-4-[2-(dimethylamino)-2-oxoethoxy]-6-pyridin-4-yl-1,3-benzothiazole-2-carboxamide
CID 70908825
N-[2-(dimethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-phenoxyacetamide
CID 7507488
N-[(3,5-dimethoxyphenyl)methyl]-6-hydroxy-1,3-benzothiazole-2-carboxamide
CID 177375461
3-(6-ethoxy-1,3-benzothiazol-2-yl)-1,1-diethylurea
CID 3926238
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-phenoxy-N-(pyridin-3-ylmethyl)acetamide
CID 40508156
N-benzyl-2-methyl-1,3-benzothiazole-6-carboxamide
CID 3154693
N-benzyl-2-oxo-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide;molecular hydrogen
CID 143886131
N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)butanamide
CID 7615810
N-[[4-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 46491498
2-[3-[[[2-(6-phenyl-1,3-benzothiazol-2-yl)acetyl]amino]methyl]phenoxy]acetic acid
CID 58470538
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(2-oxo-2-phenylacetyl)benzamide
CID 19209994

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-[2-(diethylamino)-2-oxoethoxy]-1,3-benzothiazole-2-carboxamide?
The IUPAC name of N-benzyl-6-[2-(diethylamino)-2-oxoethoxy]-1,3-benzothiazole-2-carboxamide (CID 141486523) is N-benzyl-6-[2-(diethylamino)-2-oxoethoxy]-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for N-benzyl-6-[2-(diethylamino)-2-oxoethoxy]-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for N-benzyl-6-[2-(diethylamino)-2-oxoethoxy]-1,3-benzothiazole-2-carboxamide is CCN(CC)C(=O)COc1ccc2nc(C(=O)NCc3ccccc3)sc2c1.
What is the InChIKey of N-benzyl-6-[2-(diethylamino)-2-oxoethoxy]-1,3-benzothiazole-2-carboxamide?
The InChIKey is WPNBYHDIJHNMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-3-24(4-2)19(25)14-27-16-10-11-17-18(12-16)28-21(23-17)20(26)22-13-15-8-6-5-7-9-15/h5-12H,3-4,13-14H2,1-2H3,(H,22,26).
What are the key properties of N-benzyl-6-[2-(diethylamino)-2-oxoethoxy]-1,3-benzothiazole-2-carboxamide?
N-benzyl-6-[2-(diethylamino)-2-oxoethoxy]-1,3-benzothiazole-2-carboxamide has a molecular weight of 397.50 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-[2-(diethylamino)-2-oxoethoxy]-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 141486523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).