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

C14H10N2S2 — CID 129361833

IUPAC2-[(2S)-2,3-dihydro-1,3-benzothiazol-2-yl]-1,3-benzothiazole
SMILESc1ccc2c(c1)N[C@H](c1nc3ccccc3s1)S2
InChIInChI=1S/C14H10N2S2/c1-3-7-11-9(5-1)15-13(17-11)14-16-10-6-2-4-8-12(10)18-14/h1-8,13,15H/t13-/m0/s1
InChIKeyMFCUWEISQRNODG-ZDUSSCGKSA-N
MW270.38 g/mol
LogP4.51
Rot. Bonds1

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

2-[(2S)-2,3-dihydro-1,3-benzothiazol-2-yl]-1,3-benzothiazole (PubChem CID 129361833) has the molecular formula C14H10N2S2 and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-[(2S)-2,3-dihydro-1,3-benzothiazol-2-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[(2S)-2,3-dihydro-1,3-benzothiazol-2-yl]-1,3-benzothiazole
PubChem CID129361833
Molecular FormulaC14H10N2S2
Molecular Weight270.38 g/mol
Exact Mass270.03
IUPAC Name2-[(2S)-2,3-dihydro-1,3-benzothiazol-2-yl]-1,3-benzothiazole
SMILESc1ccc2c(c1)N[C@H](c1nc3ccccc3s1)S2
InChIInChI=1S/C14H10N2S2/c1-3-7-11-9(5-1)15-13(17-11)14-16-10-6-2-4-8-12(10)18-14/h1-8,13,15H/t13-/m0/s1
InChIKeyMFCUWEISQRNODG-ZDUSSCGKSA-N
XLogP4.51
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-(2,3-dihydro-1,3-benzothiazol-2-yl)aniline
CID 166960409
1-(1,3-benzothiazol-2-yl)-2-(2,3-dihydro-1,3-benzothiazol-2-yl)hydrazine
CID 91400826
2-(2,3-dihydro-1H-indol-2-yl)-1,3-benzothiazole
CID 43196878
2-(3-methyloxiran-2-yl)-1,3-benzothiazole
CID 72744188
2-[(3S)-piperidin-3-yl]-1,3-benzothiazole
CID 2121164
4-(1,3-benzothiazol-2-yl)cyclohexan-1-one
CID 116999899
carbanide;cyclopentane;bis(2-cyclopentyl-1,3-benzothiazole);iron;iron(2+);methanone;rhenium
CID 162273563
2-(1,2-dihydropyridin-2-yl)-1,3-benzothiazole
CID 5251875
3-(1,3-benzothiazol-2-yl)cyclobutan-1-amine
CID 116999894
2-[(2R,3S)-3-phenyloxiran-2-yl]-1,3-benzothiazole
CID 15442374
2-[3-(2,3-dihydro-1,3-benzothiazol-2-yl)-5-[3-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]-1,3-benzothiazole
CID 167132211
3-(1,3-benzothiazol-2-yl)cyclopentan-1-one
CID 164678956

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2,3-dihydro-1,3-benzothiazol-2-yl]-1,3-benzothiazole?
The IUPAC name of 2-[(2S)-2,3-dihydro-1,3-benzothiazol-2-yl]-1,3-benzothiazole (CID 129361833) is 2-[(2S)-2,3-dihydro-1,3-benzothiazol-2-yl]-1,3-benzothiazole.
What is the SMILES notation for 2-[(2S)-2,3-dihydro-1,3-benzothiazol-2-yl]-1,3-benzothiazole?
The canonical SMILES for 2-[(2S)-2,3-dihydro-1,3-benzothiazol-2-yl]-1,3-benzothiazole is c1ccc2c(c1)N[C@H](c1nc3ccccc3s1)S2.
What is the InChIKey of 2-[(2S)-2,3-dihydro-1,3-benzothiazol-2-yl]-1,3-benzothiazole?
The InChIKey is MFCUWEISQRNODG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H10N2S2/c1-3-7-11-9(5-1)15-13(17-11)14-16-10-6-2-4-8-12(10)18-14/h1-8,13,15H/t13-/m0/s1.
What are the key properties of 2-[(2S)-2,3-dihydro-1,3-benzothiazol-2-yl]-1,3-benzothiazole?
2-[(2S)-2,3-dihydro-1,3-benzothiazol-2-yl]-1,3-benzothiazole has a molecular weight of 270.38 g/mol, XLogP of 4.51, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2,3-dihydro-1,3-benzothiazol-2-yl]-1,3-benzothiazole is sourced from PubChem (CID 129361833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).