4-(2-amino-2-oxoethoxy)-N-(1,3-benzothiazol-2-ylmethyl)benzamide

C17H15N3O3S — CID 24543302

IUPAC4-(2-amino-2-oxoethoxy)-N-(1,3-benzothiazol-2-ylmethyl)benzamide
SMILESNC(=O)COc1ccc(C(=O)NCc2nc3ccccc3s2)cc1
InChIInChI=1S/C17H15N3O3S/c18-15(21)10-23-12-7-5-11(6-8-12)17(22)19-9-16-20-13-3-1-2-4-14(13)24-16/h1-8H,9-10H2,(H2,18,21)(H,19,22)
InChIKeyHWNXZXJUGBXGDN-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.09
Rot. Bonds6

About 4-(2-amino-2-oxoethoxy)-N-(1,3-benzothiazol-2-ylmethyl)benzamide

4-(2-amino-2-oxoethoxy)-N-(1,3-benzothiazol-2-ylmethyl)benzamide (PubChem CID 24543302) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-N-(1,3-benzothiazol-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-N-(1,3-benzothiazol-2-ylmethyl)benzamide
PubChem CID24543302
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC Name4-(2-amino-2-oxoethoxy)-N-(1,3-benzothiazol-2-ylmethyl)benzamide
SMILESNC(=O)COc1ccc(C(=O)NCc2nc3ccccc3s2)cc1
InChIInChI=1S/C17H15N3O3S/c18-15(21)10-23-12-7-5-11(6-8-12)17(22)19-9-16-20-13-3-1-2-4-14(13)24-16/h1-8H,9-10H2,(H2,18,21)(H,19,22)
InChIKeyHWNXZXJUGBXGDN-UHFFFAOYSA-N
XLogP2.09
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-3,5-dimethoxy-4-methylbenzamide
CID 38283922
N-(1,3-benzothiazol-2-ylmethyl)-2-(4-methoxyphenyl)acetamide
CID 18110654
2-amino-N-(1,3-benzothiazol-2-ylmethyl)butanediamide
CID 61247861
N-(1,3-benzothiazol-2-ylmethyl)-2-hydroxy-4-methoxybenzamide
CID 31100874
N-(1,3-benzothiazol-2-ylmethyl)-3-bromo-4-ethoxy-5-methoxybenzamide
CID 38283893
N-(1,3-benzothiazol-2-ylmethyl)thiophene-2-carboxamide
CID 18110672
N-(1,3-benzothiazol-2-ylmethyl)-4-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 31101472
1-(1,3-benzothiazol-2-ylmethyl)-3-(2-methoxyethyl)urea
CID 47133738
N-(1,3-benzothiazol-2-ylmethyl)-5-methylthiophene-2-carboxamide
CID 18110635
1-(1,3-benzothiazol-2-ylmethyl)-3-methylurea
CID 23548661
N-(1,3-benzothiazol-2-ylmethyl)-2-[4-(difluoromethoxy)phenyl]acetamide
CID 31101407
1,3-benzothiazol-2-ylmethyl 2-(4-propanoylphenoxy)acetate
CID 7854998

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-N-(1,3-benzothiazol-2-ylmethyl)benzamide?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-N-(1,3-benzothiazol-2-ylmethyl)benzamide (CID 24543302) is 4-(2-amino-2-oxoethoxy)-N-(1,3-benzothiazol-2-ylmethyl)benzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-N-(1,3-benzothiazol-2-ylmethyl)benzamide?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-N-(1,3-benzothiazol-2-ylmethyl)benzamide is NC(=O)COc1ccc(C(=O)NCc2nc3ccccc3s2)cc1.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-N-(1,3-benzothiazol-2-ylmethyl)benzamide?
The InChIKey is HWNXZXJUGBXGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S/c18-15(21)10-23-12-7-5-11(6-8-12)17(22)19-9-16-20-13-3-1-2-4-14(13)24-16/h1-8H,9-10H2,(H2,18,21)(H,19,22).
What are the key properties of 4-(2-amino-2-oxoethoxy)-N-(1,3-benzothiazol-2-ylmethyl)benzamide?
4-(2-amino-2-oxoethoxy)-N-(1,3-benzothiazol-2-ylmethyl)benzamide has a molecular weight of 341.39 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethoxy)-N-(1,3-benzothiazol-2-ylmethyl)benzamide is sourced from PubChem (CID 24543302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).