N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide

C18H18N2O2S — CID 52893645

IUPACN-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
SMILESCCC(=O)N(Cc1ccccc1)c1nc2ccc(OC)cc2s1
InChIInChI=1S/C18H18N2O2S/c1-3-17(21)20(12-13-7-5-4-6-8-13)18-19-15-10-9-14(22-2)11-16(15)23-18/h4-11H,3,12H2,1-2H3
InChIKeyINJLBZSEGLFKRC-UHFFFAOYSA-N
MW326.42 g/mol
LogP4.25
Rot. Bonds5

About N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide

N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide (PubChem CID 52893645) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
PubChem CID52893645
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC NameN-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
SMILESCCC(=O)N(Cc1ccccc1)c1nc2ccc(OC)cc2s1
InChIInChI=1S/C18H18N2O2S/c1-3-17(21)20(12-13-7-5-4-6-8-13)18-19-15-10-9-14(22-2)11-16(15)23-18/h4-11H,3,12H2,1-2H3
InChIKeyINJLBZSEGLFKRC-UHFFFAOYSA-N
XLogP4.25
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide
CID 7615805
N-benzyl-4-(4-ethoxyphenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide
CID 2449845
3-(benzenesulfonyl)-N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 18581957
N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)butanamide
CID 7615810
4-(benzenesulfonyl)-N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide
CID 41273295
N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-4-ylmethyl)benzamide
CID 18587392
N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 7615801
N-benzyl-2-(4-fluorophenyl)sulfonyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 18581958
N-benzyl-3-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 41110197
N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-2,4-dimethylbenzamide
CID 41110246
N-benzyl-N-(6-ethyl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfonylacetamide
CID 41323194
N-benzyl-3-ethoxy-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide
CID 56501884

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide?
The IUPAC name of N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide (CID 52893645) is N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide.
What is the SMILES notation for N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide?
The canonical SMILES for N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide is CCC(=O)N(Cc1ccccc1)c1nc2ccc(OC)cc2s1.
What is the InChIKey of N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide?
The InChIKey is INJLBZSEGLFKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-3-17(21)20(12-13-7-5-4-6-8-13)18-19-15-10-9-14(22-2)11-16(15)23-18/h4-11H,3,12H2,1-2H3.
What are the key properties of N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide?
N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide has a molecular weight of 326.42 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide is sourced from PubChem (CID 52893645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).