2-benzyl-2,3-dihydro-1,3-benzothiazole

C14H13NS — CID 3006710

IUPAC2-benzyl-2,3-dihydro-1,3-benzothiazole
SMILESc1ccc(CC2Nc3ccccc3S2)cc1
InChIInChI=1S/C14H13NS/c1-2-6-11(7-3-1)10-14-15-12-8-4-5-9-13(12)16-14/h1-9,14-15H,10H2
InChIKeyISKNSUNYZSONGW-UHFFFAOYSA-N
MW227.33 g/mol
LogP3.77
Rot. Bonds2

About 2-benzyl-2,3-dihydro-1,3-benzothiazole

2-benzyl-2,3-dihydro-1,3-benzothiazole (PubChem CID 3006710) has the molecular formula C14H13NS and a molecular weight of 227.33 g/mol. Its IUPAC name is 2-benzyl-2,3-dihydro-1,3-benzothiazole.

Molecular Properties

Compound Name2-benzyl-2,3-dihydro-1,3-benzothiazole
PubChem CID3006710
Molecular FormulaC14H13NS
Molecular Weight227.33 g/mol
Exact Mass227.08
IUPAC Name2-benzyl-2,3-dihydro-1,3-benzothiazole
SMILESc1ccc(CC2Nc3ccccc3S2)cc1
InChIInChI=1S/C14H13NS/c1-2-6-11(7-3-1)10-14-15-12-8-4-5-9-13(12)16-14/h1-9,14-15H,10H2
InChIKeyISKNSUNYZSONGW-UHFFFAOYSA-N
XLogP3.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-2,3-dihydro-1,3-benzothiazole?
The IUPAC name of 2-benzyl-2,3-dihydro-1,3-benzothiazole (CID 3006710) is 2-benzyl-2,3-dihydro-1,3-benzothiazole.
What is the SMILES notation for 2-benzyl-2,3-dihydro-1,3-benzothiazole?
The canonical SMILES for 2-benzyl-2,3-dihydro-1,3-benzothiazole is c1ccc(CC2Nc3ccccc3S2)cc1.
What is the InChIKey of 2-benzyl-2,3-dihydro-1,3-benzothiazole?
The InChIKey is ISKNSUNYZSONGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NS/c1-2-6-11(7-3-1)10-14-15-12-8-4-5-9-13(12)16-14/h1-9,14-15H,10H2.
What are the key properties of 2-benzyl-2,3-dihydro-1,3-benzothiazole?
2-benzyl-2,3-dihydro-1,3-benzothiazole has a molecular weight of 227.33 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-2,3-dihydro-1,3-benzothiazole is sourced from PubChem (CID 3006710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).