2-(2-acetamido-1,3-benzothiazol-6-yl)-N-(3,4-dimethylphenyl)acetamide

C19H19N3O2S — CID 46289672

IUPAC2-(2-acetamido-1,3-benzothiazol-6-yl)-N-(3,4-dimethylphenyl)acetamide
SMILESCC(=O)Nc1nc2ccc(CC(=O)Nc3ccc(C)c(C)c3)cc2s1
InChIInChI=1S/C19H19N3O2S/c1-11-4-6-15(8-12(11)2)21-18(24)10-14-5-7-16-17(9-14)25-19(22-16)20-13(3)23/h4-9H,10H2,1-3H3,(H,21,24)(H,20,22,23)
InChIKeySCLGUKXASJGSST-UHFFFAOYSA-N
MW353.45 g/mol
LogP4.05
Rot. Bonds4

About 2-(2-acetamido-1,3-benzothiazol-6-yl)-N-(3,4-dimethylphenyl)acetamide

2-(2-acetamido-1,3-benzothiazol-6-yl)-N-(3,4-dimethylphenyl)acetamide (PubChem CID 46289672) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is 2-(2-acetamido-1,3-benzothiazol-6-yl)-N-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-acetamido-1,3-benzothiazol-6-yl)-N-(3,4-dimethylphenyl)acetamide
PubChem CID46289672
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name2-(2-acetamido-1,3-benzothiazol-6-yl)-N-(3,4-dimethylphenyl)acetamide
SMILESCC(=O)Nc1nc2ccc(CC(=O)Nc3ccc(C)c(C)c3)cc2s1
InChIInChI=1S/C19H19N3O2S/c1-11-4-6-15(8-12(11)2)21-18(24)10-14-5-7-16-17(9-14)25-19(22-16)20-13(3)23/h4-9H,10H2,1-3H3,(H,21,24)(H,20,22,23)
InChIKeySCLGUKXASJGSST-UHFFFAOYSA-N
XLogP4.05
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethylphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
CID 2666726
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-phenylacetamide
CID 954022
N,2-bis(3,4-dimethylphenyl)acetamide
CID 2600237
N-(6-acetamido-1,3-benzothiazol-2-yl)-3,4-dimethylbenzamide
CID 952086
N-(2-acetamido-1,3-benzothiazol-6-yl)-3-(4-ethylphenyl)propanamide
CID 55769442
3-(2-acetamido-1,3-benzothiazol-6-yl)-N-(3,5-dimethylphenyl)propanamide
CID 46289391
N-[6-[2-(3-methylanilino)-2-oxoethyl]-1,3-benzothiazol-2-yl]butanamide
CID 46289861
2-(2-acetamido-1,3-benzothiazol-6-yl)-N-benzylacetamide
CID 46289632
N-(2-acetamido-1,3-benzothiazol-6-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 51123615
N-(2-acetamido-1,3-benzothiazol-6-yl)-2-cyanoacetamide
CID 168521756
N-[6-[(2,5-dimethylphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]acetamide
CID 46325788
3-oxo-N-[6-[(2-phenylacetyl)amino]-1,3-benzothiazol-2-yl]butanamide
CID 57257022

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetamido-1,3-benzothiazol-6-yl)-N-(3,4-dimethylphenyl)acetamide?
The IUPAC name of 2-(2-acetamido-1,3-benzothiazol-6-yl)-N-(3,4-dimethylphenyl)acetamide (CID 46289672) is 2-(2-acetamido-1,3-benzothiazol-6-yl)-N-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(2-acetamido-1,3-benzothiazol-6-yl)-N-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-(2-acetamido-1,3-benzothiazol-6-yl)-N-(3,4-dimethylphenyl)acetamide is CC(=O)Nc1nc2ccc(CC(=O)Nc3ccc(C)c(C)c3)cc2s1.
What is the InChIKey of 2-(2-acetamido-1,3-benzothiazol-6-yl)-N-(3,4-dimethylphenyl)acetamide?
The InChIKey is SCLGUKXASJGSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-11-4-6-15(8-12(11)2)21-18(24)10-14-5-7-16-17(9-14)25-19(22-16)20-13(3)23/h4-9H,10H2,1-3H3,(H,21,24)(H,20,22,23).
What are the key properties of 2-(2-acetamido-1,3-benzothiazol-6-yl)-N-(3,4-dimethylphenyl)acetamide?
2-(2-acetamido-1,3-benzothiazol-6-yl)-N-(3,4-dimethylphenyl)acetamide has a molecular weight of 353.45 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetamido-1,3-benzothiazol-6-yl)-N-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 46289672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).