(2R)-2-(2-chlorophenyl)-2,3-dihydro-1,3-benzothiazole

C13H10ClNS — CID 6928885

IUPAC(2R)-2-(2-chlorophenyl)-2,3-dihydro-1,3-benzothiazole
SMILESClc1ccccc1[C@@H]1Nc2ccccc2S1
InChIInChI=1S/C13H10ClNS/c14-10-6-2-1-5-9(10)13-15-11-7-3-4-8-12(11)16-13/h1-8,13,15H/t13-/m1/s1
InChIKeyNQUFSFGPHJRGPH-CYBMUJFWSA-N
MW247.75 g/mol
LogP4.56
Rot. Bonds1

About (2R)-2-(2-chlorophenyl)-2,3-dihydro-1,3-benzothiazole

(2R)-2-(2-chlorophenyl)-2,3-dihydro-1,3-benzothiazole (PubChem CID 6928885) has the molecular formula C13H10ClNS and a molecular weight of 247.75 g/mol. Its IUPAC name is (2R)-2-(2-chlorophenyl)-2,3-dihydro-1,3-benzothiazole.

Molecular Properties

Compound Name(2R)-2-(2-chlorophenyl)-2,3-dihydro-1,3-benzothiazole
PubChem CID6928885
Molecular FormulaC13H10ClNS
Molecular Weight247.75 g/mol
Exact Mass247.02
IUPAC Name(2R)-2-(2-chlorophenyl)-2,3-dihydro-1,3-benzothiazole
SMILESClc1ccccc1[C@@H]1Nc2ccccc2S1
InChIInChI=1S/C13H10ClNS/c14-10-6-2-1-5-9(10)13-15-11-7-3-4-8-12(11)16-13/h1-8,13,15H/t13-/m1/s1
InChIKeyNQUFSFGPHJRGPH-CYBMUJFWSA-N
XLogP4.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.75
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-naphthalen-1-yl-2,3-dihydro-1,3-benzothiazole
CID 102081822
(2R)-2-phenyl-2,3-dihydro-1,3-benzothiazole
CID 92935373
(2S)-2-[(2R)-2,3-dihydro-1,3-benzothiazol-2-yl]-2,3-dihydro-1,3-benzothiazole
CID 92543565
2-(5-fluoro-2-nitrophenyl)-2,3-dihydro-1,3-benzothiazole
CID 70375535
2-[(2S)-2,3-dihydro-1,3-benzothiazol-2-yl]-1,3-benzothiazole
CID 129361833
2-(6-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridin-5-yl)-2,3-dihydro-1,3-benzothiazole
CID 12786995
ethane;2-methyl-2,3-dihydro-1,3-benzothiazole
CID 145235335
2-(2-chlorophenyl)-2,3-dihydro-1-benzothiophene
CID 102045962
4-(2,3-dihydro-1,3-benzothiazol-2-yl)-N,N-diethylaniline
CID 4168985
2-imidazo[1,2-a]pyridin-7-yl-2,3-dihydro-1,3-benzothiazole
CID 91499200
2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2,3-dihydro-1,3-benzothiazole
CID 145202412
2-(2,3-dihydro-1,3-benzothiazol-2-yldisulfanyl)-2,3-dihydro-1,3-benzothiazole;ethane
CID 91078039

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chlorophenyl)-2,3-dihydro-1,3-benzothiazole?
The IUPAC name of (2R)-2-(2-chlorophenyl)-2,3-dihydro-1,3-benzothiazole (CID 6928885) is (2R)-2-(2-chlorophenyl)-2,3-dihydro-1,3-benzothiazole.
What is the SMILES notation for (2R)-2-(2-chlorophenyl)-2,3-dihydro-1,3-benzothiazole?
The canonical SMILES for (2R)-2-(2-chlorophenyl)-2,3-dihydro-1,3-benzothiazole is Clc1ccccc1[C@@H]1Nc2ccccc2S1.
What is the InChIKey of (2R)-2-(2-chlorophenyl)-2,3-dihydro-1,3-benzothiazole?
The InChIKey is NQUFSFGPHJRGPH-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H10ClNS/c14-10-6-2-1-5-9(10)13-15-11-7-3-4-8-12(11)16-13/h1-8,13,15H/t13-/m1/s1.
What are the key properties of (2R)-2-(2-chlorophenyl)-2,3-dihydro-1,3-benzothiazole?
(2R)-2-(2-chlorophenyl)-2,3-dihydro-1,3-benzothiazole has a molecular weight of 247.75 g/mol, XLogP of 4.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-chlorophenyl)-2,3-dihydro-1,3-benzothiazole is sourced from PubChem (CID 6928885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).