N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetamide

C14H14N2O2S — CID 701749

IUPACN-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetamide
SMILESCOc1ccc2c(c1)CCc1sc(NC(C)=O)nc1-2
InChIInChI=1S/C14H14N2O2S/c1-8(17)15-14-16-13-11-5-4-10(18-2)7-9(11)3-6-12(13)19-14/h4-5,7H,3,6H2,1-2H3,(H,15,16,17)
InChIKeyGJGNOAUCYMCQAE-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.88
Rot. Bonds2

About N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetamide

N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetamide (PubChem CID 701749) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetamide
PubChem CID701749
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC NameN-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetamide
SMILESCOc1ccc2c(c1)CCc1sc(NC(C)=O)nc1-2
InChIInChI=1S/C14H14N2O2S/c1-8(17)15-14-16-13-11-5-4-10(18-2)7-9(11)3-6-12(13)19-14/h4-5,7H,3,6H2,1-2H3,(H,15,16,17)
InChIKeyGJGNOAUCYMCQAE-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

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Frequently Asked Questions

What is the IUPAC name of N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetamide?
The IUPAC name of N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetamide (CID 701749) is N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetamide.
What is the SMILES notation for N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetamide?
The canonical SMILES for N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetamide is COc1ccc2c(c1)CCc1sc(NC(C)=O)nc1-2.
What is the InChIKey of N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetamide?
The InChIKey is GJGNOAUCYMCQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-8(17)15-14-16-13-11-5-4-10(18-2)7-9(11)3-6-12(13)19-14/h4-5,7H,3,6H2,1-2H3,(H,15,16,17).
What are the key properties of N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetamide?
N-(7-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-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetamide is sourced from PubChem (CID 701749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).