(2S)-2-[(2R)-2,3-dihydro-1,3-benzothiazol-2-yl]-2,3-dihydro-1,3-benzothiazole

C14H12N2S2 — CID 92543565

IUPAC(2S)-2-[(2R)-2,3-dihydro-1,3-benzothiazol-2-yl]-2,3-dihydro-1,3-benzothiazole
SMILESc1ccc2c(c1)N[C@@H]([C@H]1Nc3ccccc3S1)S2
InChIInChI=1S/C14H12N2S2/c1-3-7-11-9(5-1)15-13(17-11)14-16-10-6-2-4-8-12(10)18-14/h1-8,13-16H/t13-,14+
InChIKeyLYPDJBMOMMJHAR-OKILXGFUSA-N
MW272.40 g/mol
LogP4.07
Rot. Bonds1

About (2S)-2-[(2R)-2,3-dihydro-1,3-benzothiazol-2-yl]-2,3-dihydro-1,3-benzothiazole

(2S)-2-[(2R)-2,3-dihydro-1,3-benzothiazol-2-yl]-2,3-dihydro-1,3-benzothiazole (PubChem CID 92543565) has the molecular formula C14H12N2S2 and a molecular weight of 272.40 g/mol. Its IUPAC name is (2S)-2-[(2R)-2,3-dihydro-1,3-benzothiazol-2-yl]-2,3-dihydro-1,3-benzothiazole.

Molecular Properties

Compound Name(2S)-2-[(2R)-2,3-dihydro-1,3-benzothiazol-2-yl]-2,3-dihydro-1,3-benzothiazole
PubChem CID92543565
Molecular FormulaC14H12N2S2
Molecular Weight272.40 g/mol
Exact Mass272.04
IUPAC Name(2S)-2-[(2R)-2,3-dihydro-1,3-benzothiazol-2-yl]-2,3-dihydro-1,3-benzothiazole
SMILESc1ccc2c(c1)N[C@@H]([C@H]1Nc3ccccc3S1)S2
InChIInChI=1S/C14H12N2S2/c1-3-7-11-9(5-1)15-13(17-11)14-16-10-6-2-4-8-12(10)18-14/h1-8,13-16H/t13-,14+
InChIKeyLYPDJBMOMMJHAR-OKILXGFUSA-N
XLogP4.07
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[(2R)-2,3-dihydro-1,3-benzothiazol-2-yl]-2,3-dihydro-1,3-benzothiazole with MolForge

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Related Compounds

ethane;2-methyl-2,3-dihydro-1,3-benzothiazole
CID 145235335
(2R)-2-phenyl-2,3-dihydro-1,3-benzothiazole
CID 92935373
2-(2,3-dihydro-1,3-benzothiazol-2-yldisulfanyl)-2,3-dihydro-1,3-benzothiazole;ethane
CID 91078039
N,N-dimethyl-2,3-dihydro-1,3-benzothiazol-2-amine
CID 146243816
bis(2,3-dihydro-1,3-benzothiazol-2-yl)methanethione
CID 175478062
ethane;2-ethyl-2,3-dihydro-1,3-benzothiazole
CID 142049429
5-(2,3-dihydro-1,3-benzothiazol-2-yl)-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 58971888
(2R)-2-(2-chlorophenyl)-2,3-dihydro-1,3-benzothiazole
CID 6928885
2,3-bis(ethenyl)-3,4-dihydro-2H-1,4-benzothiazine
CID 143790413
2-(2,3-dihydro-1,3-benzothiazol-2-yl)acetic acid
CID 154116351
(2R)-2-naphthalen-1-yl-2,3-dihydro-1,3-benzothiazole
CID 102081822
1-(2,3-dihydro-1,3-benzothiazol-2-yl)-2,2-dimethylpropan-1-one
CID 140594652

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2R)-2,3-dihydro-1,3-benzothiazol-2-yl]-2,3-dihydro-1,3-benzothiazole?
The IUPAC name of (2S)-2-[(2R)-2,3-dihydro-1,3-benzothiazol-2-yl]-2,3-dihydro-1,3-benzothiazole (CID 92543565) is (2S)-2-[(2R)-2,3-dihydro-1,3-benzothiazol-2-yl]-2,3-dihydro-1,3-benzothiazole.
What is the SMILES notation for (2S)-2-[(2R)-2,3-dihydro-1,3-benzothiazol-2-yl]-2,3-dihydro-1,3-benzothiazole?
The canonical SMILES for (2S)-2-[(2R)-2,3-dihydro-1,3-benzothiazol-2-yl]-2,3-dihydro-1,3-benzothiazole is c1ccc2c(c1)N[C@@H]([C@H]1Nc3ccccc3S1)S2.
What is the InChIKey of (2S)-2-[(2R)-2,3-dihydro-1,3-benzothiazol-2-yl]-2,3-dihydro-1,3-benzothiazole?
The InChIKey is LYPDJBMOMMJHAR-OKILXGFUSA-N. The full InChI is InChI=1S/C14H12N2S2/c1-3-7-11-9(5-1)15-13(17-11)14-16-10-6-2-4-8-12(10)18-14/h1-8,13-16H/t13-,14+.
What are the key properties of (2S)-2-[(2R)-2,3-dihydro-1,3-benzothiazol-2-yl]-2,3-dihydro-1,3-benzothiazole?
(2S)-2-[(2R)-2,3-dihydro-1,3-benzothiazol-2-yl]-2,3-dihydro-1,3-benzothiazole has a molecular weight of 272.40 g/mol, XLogP of 4.07, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2R)-2,3-dihydro-1,3-benzothiazol-2-yl]-2,3-dihydro-1,3-benzothiazole is sourced from PubChem (CID 92543565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).