2,3-dihydro-1,3-benzothiazole;2,3-dihydro-1H-isoindole

C15H16N2S — CID 69347207

IUPAC2,3-dihydro-1,3-benzothiazole;2,3-dihydro-1H-isoindole
SMILESc1ccc2c(c1)CNC2.c1ccc2c(c1)NCS2
InChIInChI=1S/C8H9N.C7H7NS/c1-2-4-8-6-9-5-7(8)3-1;1-2-4-7-6(3-1)8-5-9-7/h1-4,9H,5-6H2;1-4,8H,5H2
InChIKeyPDMCVNDVUGNHDS-UHFFFAOYSA-N
MW256.37 g/mol
LogP3.45
Rot. Bonds

About 2,3-dihydro-1,3-benzothiazole;2,3-dihydro-1H-isoindole

2,3-dihydro-1,3-benzothiazole;2,3-dihydro-1H-isoindole (PubChem CID 69347207) has the molecular formula C15H16N2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 2,3-dihydro-1,3-benzothiazole;2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name2,3-dihydro-1,3-benzothiazole;2,3-dihydro-1H-isoindole
PubChem CID69347207
Molecular FormulaC15H16N2S
Molecular Weight256.37 g/mol
Exact Mass256.10
IUPAC Name2,3-dihydro-1,3-benzothiazole;2,3-dihydro-1H-isoindole
SMILESc1ccc2c(c1)CNC2.c1ccc2c(c1)NCS2
InChIInChI=1S/C8H9N.C7H7NS/c1-2-4-8-6-9-5-7(8)3-1;1-2-4-7-6(3-1)8-5-9-7/h1-4,9H,5-6H2;1-4,8H,5H2
InChIKeyPDMCVNDVUGNHDS-UHFFFAOYSA-N
XLogP3.45
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,3-benzothiazole;2,3-dihydro-1H-isoindole?
The IUPAC name of 2,3-dihydro-1,3-benzothiazole;2,3-dihydro-1H-isoindole (CID 69347207) is 2,3-dihydro-1,3-benzothiazole;2,3-dihydro-1H-isoindole.
What is the SMILES notation for 2,3-dihydro-1,3-benzothiazole;2,3-dihydro-1H-isoindole?
The canonical SMILES for 2,3-dihydro-1,3-benzothiazole;2,3-dihydro-1H-isoindole is c1ccc2c(c1)CNC2.c1ccc2c(c1)NCS2.
What is the InChIKey of 2,3-dihydro-1,3-benzothiazole;2,3-dihydro-1H-isoindole?
The InChIKey is PDMCVNDVUGNHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N.C7H7NS/c1-2-4-8-6-9-5-7(8)3-1;1-2-4-7-6(3-1)8-5-9-7/h1-4,9H,5-6H2;1-4,8H,5H2.
What are the key properties of 2,3-dihydro-1,3-benzothiazole;2,3-dihydro-1H-isoindole?
2,3-dihydro-1,3-benzothiazole;2,3-dihydro-1H-isoindole has a molecular weight of 256.37 g/mol, XLogP of 3.45, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,3-benzothiazole;2,3-dihydro-1H-isoindole is sourced from PubChem (CID 69347207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).