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

C14H16N2O2S — CID 126469443

IUPACN-(4,5-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-N,2-dimethylpropanamide
SMILESCC(C)C(=O)N(C)c1nc2c(s1)CCc1occc1-2
InChIInChI=1S/C14H16N2O2S/c1-8(2)13(17)16(3)14-15-12-9-6-7-18-10(9)4-5-11(12)19-14/h6-8H,4-5H2,1-3H3
InChIKeyKIIUBIPCRAFJOF-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.12
Rot. Bonds2

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

N-(4,5-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-N,2-dimethylpropanamide (PubChem CID 126469443) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is N-(4,5-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(4,5-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-N,2-dimethylpropanamide
PubChem CID126469443
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC NameN-(4,5-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-N,2-dimethylpropanamide
SMILESCC(C)C(=O)N(C)c1nc2c(s1)CCc1occc1-2
InChIInChI=1S/C14H16N2O2S/c1-8(2)13(17)16(3)14-15-12-9-6-7-18-10(9)4-5-11(12)19-14/h6-8H,4-5H2,1-3H3
InChIKeyKIIUBIPCRAFJOF-UHFFFAOYSA-N
XLogP3.12
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.12
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-dimethylpropanamide?
The IUPAC name of N-(4,5-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-N,2-dimethylpropanamide (CID 126469443) is N-(4,5-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-N,2-dimethylpropanamide.
What is the SMILES notation for N-(4,5-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-N,2-dimethylpropanamide?
The canonical SMILES for N-(4,5-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-N,2-dimethylpropanamide is CC(C)C(=O)N(C)c1nc2c(s1)CCc1occc1-2.
What is the InChIKey of N-(4,5-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-N,2-dimethylpropanamide?
The InChIKey is KIIUBIPCRAFJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-8(2)13(17)16(3)14-15-12-9-6-7-18-10(9)4-5-11(12)19-14/h6-8H,4-5H2,1-3H3.
What are the key properties of N-(4,5-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-N,2-dimethylpropanamide?
N-(4,5-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-N,2-dimethylpropanamide has a molecular weight of 276.36 g/mol, XLogP of 3.12, 2 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-dimethylpropanamide is sourced from PubChem (CID 126469443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).