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

C18H17N3O2S — CID 46289632

IUPAC2-(2-acetamido-1,3-benzothiazol-6-yl)-N-benzylacetamide
SMILESCC(=O)Nc1nc2ccc(CC(=O)NCc3ccccc3)cc2s1
InChIInChI=1S/C18H17N3O2S/c1-12(22)20-18-21-15-8-7-14(9-16(15)24-18)10-17(23)19-11-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H,19,23)(H,20,21,22)
InChIKeyQBQLRDDDTUYPDC-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.11
Rot. Bonds5

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

2-(2-acetamido-1,3-benzothiazol-6-yl)-N-benzylacetamide (PubChem CID 46289632) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 2-(2-acetamido-1,3-benzothiazol-6-yl)-N-benzylacetamide.

Molecular Properties

Compound Name2-(2-acetamido-1,3-benzothiazol-6-yl)-N-benzylacetamide
PubChem CID46289632
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name2-(2-acetamido-1,3-benzothiazol-6-yl)-N-benzylacetamide
SMILESCC(=O)Nc1nc2ccc(CC(=O)NCc3ccccc3)cc2s1
InChIInChI=1S/C18H17N3O2S/c1-12(22)20-18-21-15-8-7-14(9-16(15)24-18)10-17(23)19-11-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H,19,23)(H,20,21,22)
InChIKeyQBQLRDDDTUYPDC-UHFFFAOYSA-N
XLogP3.11
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-3-(6-methyl-1,3-benzothiazol-2-yl)urea
CID 42733059
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-phenylacetamide
CID 954022
N-[6-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-1,3-benzothiazol-2-yl]butanamide
CID 46289848
N-[6-[2-oxo-2-[(4-propan-2-yloxyphenyl)methylamino]ethyl]-1,3-benzothiazol-2-yl]butanamide
CID 46289872
2-(2-acetamido-1,3-benzothiazol-6-yl)-N-(3,4-dimethylphenyl)acetamide
CID 46289672
2-[2-(propanoylamino)-1,3-benzothiazol-6-yl]acetic acid
CID 29247510
3-(2-acetamido-1,3-benzothiazol-6-yl)-N-[(4-butoxyphenyl)methyl]propanamide
CID 46289443
3-(2-acetamido-1,3-benzothiazol-6-yl)-N-[(1S)-1-phenylethyl]propanamide
CID 92719568
N-(6-propyl-1,3-benzothiazol-2-yl)acetamide;tungsten
CID 59896475
3-oxo-N-[6-[(2-phenylacetyl)amino]-1,3-benzothiazol-2-yl]butanamide
CID 57257022
N-[(4-ethylphenyl)methyl]-3-[2-(propanoylamino)-1,3-benzothiazol-6-yl]propanamide
CID 46289626
2-[2-(2-methylpropanoylamino)-1,3-benzothiazol-6-yl]acetic acid
CID 29247596

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetamido-1,3-benzothiazol-6-yl)-N-benzylacetamide?
The IUPAC name of 2-(2-acetamido-1,3-benzothiazol-6-yl)-N-benzylacetamide (CID 46289632) is 2-(2-acetamido-1,3-benzothiazol-6-yl)-N-benzylacetamide.
What is the SMILES notation for 2-(2-acetamido-1,3-benzothiazol-6-yl)-N-benzylacetamide?
The canonical SMILES for 2-(2-acetamido-1,3-benzothiazol-6-yl)-N-benzylacetamide is CC(=O)Nc1nc2ccc(CC(=O)NCc3ccccc3)cc2s1.
What is the InChIKey of 2-(2-acetamido-1,3-benzothiazol-6-yl)-N-benzylacetamide?
The InChIKey is QBQLRDDDTUYPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-12(22)20-18-21-15-8-7-14(9-16(15)24-18)10-17(23)19-11-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H,19,23)(H,20,21,22).
What are the key properties of 2-(2-acetamido-1,3-benzothiazol-6-yl)-N-benzylacetamide?
2-(2-acetamido-1,3-benzothiazol-6-yl)-N-benzylacetamide has a molecular weight of 339.42 g/mol, XLogP of 3.11, 5 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-benzylacetamide is sourced from PubChem (CID 46289632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).