N-(4,5-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-N,2,2-trimethylpropanamide

C15H18N2O2S — CID 95833600

IUPACN-(4,5-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-N,2,2-trimethylpropanamide
SMILESCN(C(=O)C(C)(C)C)c1nc2c(s1)CCc1occc1-2
InChIInChI=1S/C15H18N2O2S/c1-15(2,3)13(18)17(4)14-16-12-9-7-8-19-10(9)5-6-11(12)20-14/h7-8H,5-6H2,1-4H3
InChIKeyBDOMFBIRGOLQIE-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.51
Rot. Bonds1

About N-(4,5-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-N,2,2-trimethylpropanamide

N-(4,5-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-N,2,2-trimethylpropanamide (PubChem CID 95833600) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is N-(4,5-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-N,2,2-trimethylpropanamide.

Molecular Properties

Compound NameN-(4,5-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-N,2,2-trimethylpropanamide
PubChem CID95833600
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC NameN-(4,5-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-N,2,2-trimethylpropanamide
SMILESCN(C(=O)C(C)(C)C)c1nc2c(s1)CCc1occc1-2
InChIInChI=1S/C15H18N2O2S/c1-15(2,3)13(18)17(4)14-16-12-9-7-8-19-10(9)5-6-11(12)20-14/h7-8H,5-6H2,1-4H3
InChIKeyBDOMFBIRGOLQIE-UHFFFAOYSA-N
XLogP3.51
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-N,2,2-trimethylpropanamide?
The IUPAC name of N-(4,5-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-N,2,2-trimethylpropanamide (CID 95833600) is N-(4,5-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-N,2,2-trimethylpropanamide.
What is the SMILES notation for N-(4,5-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-N,2,2-trimethylpropanamide?
The canonical SMILES for N-(4,5-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-N,2,2-trimethylpropanamide is CN(C(=O)C(C)(C)C)c1nc2c(s1)CCc1occc1-2.
What is the InChIKey of N-(4,5-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-N,2,2-trimethylpropanamide?
The InChIKey is BDOMFBIRGOLQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-15(2,3)13(18)17(4)14-16-12-9-7-8-19-10(9)5-6-11(12)20-14/h7-8H,5-6H2,1-4H3.
What are the key properties of N-(4,5-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-N,2,2-trimethylpropanamide?
N-(4,5-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-N,2,2-trimethylpropanamide has a molecular weight of 290.39 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-N,2,2-trimethylpropanamide is sourced from PubChem (CID 95833600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).