N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)acetamide

C18H17N3O3S — CID 51336701

IUPACN-(6-acetamido-1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1CC(=O)Nc1nc2ccc(NC(C)=O)cc2s1
InChIInChI=1S/C18H17N3O3S/c1-11(22)19-13-7-8-14-16(10-13)25-18(20-14)21-17(23)9-12-5-3-4-6-15(12)24-2/h3-8,10H,9H2,1-2H3,(H,19,22)(H,20,21,23)
InChIKeyLNGKOSQSTFTPMX-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.44
Rot. Bonds5

About N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)acetamide

N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)acetamide (PubChem CID 51336701) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(6-acetamido-1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)acetamide
PubChem CID51336701
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC NameN-(6-acetamido-1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1CC(=O)Nc1nc2ccc(NC(C)=O)cc2s1
InChIInChI=1S/C18H17N3O3S/c1-11(22)19-13-7-8-14-16(10-13)25-18(20-14)21-17(23)9-12-5-3-4-6-15(12)24-2/h3-8,10H,9H2,1-2H3,(H,19,22)(H,20,21,23)
InChIKeyLNGKOSQSTFTPMX-UHFFFAOYSA-N
XLogP3.44
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-acetamido-1,3-benzothiazol-2-yl)-2-phenylacetamide
CID 954022
2,6-dimethoxy-N-[2-(propanoylamino)-1,3-benzothiazol-6-yl]benzamide
CID 6457255
N-(6-acetamido-1,3-benzothiazol-2-yl)-3-methoxynaphthalene-2-carboxamide
CID 1092938
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide
CID 30515096
N-(6-fluoro-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)propanamide
CID 2549979
3-oxo-N-[6-[(2-phenylacetyl)amino]-1,3-benzothiazol-2-yl]butanamide
CID 57257022
N-(6-ethyl-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)propanamide
CID 16551618
N-(6-acetamido-1,3-benzothiazol-2-yl)-3-phenylsulfanylpropanamide
CID 4281794
N-(2-acetamido-1,3-benzothiazol-6-yl)-2-methylpropanamide
CID 46290994
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 24627882
2-(4-acetamidophenyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 17415551
N-(2-acetamido-1,3-benzothiazol-6-yl)-3,4,5-trimethoxybenzamide
CID 1120822

Frequently Asked Questions

What is the IUPAC name of N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)acetamide?
The IUPAC name of N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)acetamide (CID 51336701) is N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)acetamide.
What is the SMILES notation for N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)acetamide?
The canonical SMILES for N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)acetamide is COc1ccccc1CC(=O)Nc1nc2ccc(NC(C)=O)cc2s1.
What is the InChIKey of N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)acetamide?
The InChIKey is LNGKOSQSTFTPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-11(22)19-13-7-8-14-16(10-13)25-18(20-14)21-17(23)9-12-5-3-4-6-15(12)24-2/h3-8,10H,9H2,1-2H3,(H,19,22)(H,20,21,23).
What are the key properties of N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)acetamide?
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)acetamide has a molecular weight of 355.42 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 51336701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).