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

C14H12N2S2 — CID 69163553

IUPAC1,3-benzothiazole;2,3-dihydro-1,3-benzothiazole
SMILESc1ccc2c(c1)NCS2.c1ccc2scnc2c1
InChIInChI=1S/C7H7NS.C7H5NS/c2*1-2-4-7-6(3-1)8-5-9-7/h1-4,8H,5H2;1-5H
InChIKeyHEKVKVBSMZGEQO-UHFFFAOYSA-N
MW272.40 g/mol
LogP4.46
Rot. Bonds

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

1,3-benzothiazole;2,3-dihydro-1,3-benzothiazole (PubChem CID 69163553) has the molecular formula C14H12N2S2 and a molecular weight of 272.40 g/mol. Its IUPAC name is 1,3-benzothiazole;2,3-dihydro-1,3-benzothiazole.

Molecular Properties

Compound Name1,3-benzothiazole;2,3-dihydro-1,3-benzothiazole
PubChem CID69163553
Molecular FormulaC14H12N2S2
Molecular Weight272.40 g/mol
Exact Mass272.04
IUPAC Name1,3-benzothiazole;2,3-dihydro-1,3-benzothiazole
SMILESc1ccc2c(c1)NCS2.c1ccc2scnc2c1
InChIInChI=1S/C7H7NS.C7H5NS/c2*1-2-4-7-6(3-1)8-5-9-7/h1-4,8H,5H2;1-5H
InChIKeyHEKVKVBSMZGEQO-UHFFFAOYSA-N
XLogP4.46
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-benzothiazole;2,3-dihydro-1,3-benzothiazole?
The IUPAC name of 1,3-benzothiazole;2,3-dihydro-1,3-benzothiazole (CID 69163553) is 1,3-benzothiazole;2,3-dihydro-1,3-benzothiazole.
What is the SMILES notation for 1,3-benzothiazole;2,3-dihydro-1,3-benzothiazole?
The canonical SMILES for 1,3-benzothiazole;2,3-dihydro-1,3-benzothiazole is c1ccc2c(c1)NCS2.c1ccc2scnc2c1.
What is the InChIKey of 1,3-benzothiazole;2,3-dihydro-1,3-benzothiazole?
The InChIKey is HEKVKVBSMZGEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NS.C7H5NS/c2*1-2-4-7-6(3-1)8-5-9-7/h1-4,8H,5H2;1-5H.
What are the key properties of 1,3-benzothiazole;2,3-dihydro-1,3-benzothiazole?
1,3-benzothiazole;2,3-dihydro-1,3-benzothiazole has a molecular weight of 272.40 g/mol, XLogP of 4.46, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzothiazole;2,3-dihydro-1,3-benzothiazole is sourced from PubChem (CID 69163553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).