N-(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetamide

C14H14N2O2S — CID 848057

IUPACN-(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetamide
SMILESCOc1ccc2c(c1)-c1nc(NC(C)=O)sc1CC2
InChIInChI=1S/C14H14N2O2S/c1-8(17)15-14-16-13-11-7-10(18-2)5-3-9(11)4-6-12(13)19-14/h3,5,7H,4,6H2,1-2H3,(H,15,16,17)
InChIKeyKNNBXFBLNXHSLZ-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.88
Rot. Bonds2

About N-(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetamide

N-(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetamide (PubChem CID 848057) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is N-(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetamide
PubChem CID848057
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC NameN-(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetamide
SMILESCOc1ccc2c(c1)-c1nc(NC(C)=O)sc1CC2
InChIInChI=1S/C14H14N2O2S/c1-8(17)15-14-16-13-11-7-10(18-2)5-3-9(11)4-6-12(13)19-14/h3,5,7H,4,6H2,1-2H3,(H,15,16,17)
InChIKeyKNNBXFBLNXHSLZ-UHFFFAOYSA-N
XLogP2.88
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetamide?
The IUPAC name of N-(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetamide (CID 848057) is N-(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetamide.
What is the SMILES notation for N-(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetamide?
The canonical SMILES for N-(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetamide is COc1ccc2c(c1)-c1nc(NC(C)=O)sc1CC2.
What is the InChIKey of N-(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetamide?
The InChIKey is KNNBXFBLNXHSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-8(17)15-14-16-13-11-7-10(18-2)5-3-9(11)4-6-12(13)19-14/h3,5,7H,4,6H2,1-2H3,(H,15,16,17).
What are the key properties of N-(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetamide?
N-(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetamide has a molecular weight of 274.35 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetamide is sourced from PubChem (CID 848057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).