5,5'-dichloro-1'-methylspiro[3H-1,3-benzothiazole-2,3'-indole]-2'-one

C15H10Cl2N2OS — CID 155813012

IUPAC5,5'-dichloro-1'-methylspiro[3H-1,3-benzothiazole-2,3'-indole]-2'-one
SMILESCN1C(=O)C2(Nc3cc(Cl)ccc3S2)c2cc(Cl)ccc21
InChIInChI=1S/C15H10Cl2N2OS/c1-19-12-4-2-8(16)6-10(12)15(14(19)20)18-11-7-9(17)3-5-13(11)21-15/h2-7,18H,1H3
InChIKeyAKFITMYOLBGOCM-UHFFFAOYSA-N
MW337.23 g/mol
LogP4.34
Rot. Bonds

About 5,5'-dichloro-1'-methylspiro[3H-1,3-benzothiazole-2,3'-indole]-2'-one

5,5'-dichloro-1'-methylspiro[3H-1,3-benzothiazole-2,3'-indole]-2'-one (PubChem CID 155813012) has the molecular formula C15H10Cl2N2OS and a molecular weight of 337.23 g/mol. Its IUPAC name is 5,5'-dichloro-1'-methylspiro[3H-1,3-benzothiazole-2,3'-indole]-2'-one.

Molecular Properties

Compound Name5,5'-dichloro-1'-methylspiro[3H-1,3-benzothiazole-2,3'-indole]-2'-one
PubChem CID155813012
Molecular FormulaC15H10Cl2N2OS
Molecular Weight337.23 g/mol
Exact Mass335.99
IUPAC Name5,5'-dichloro-1'-methylspiro[3H-1,3-benzothiazole-2,3'-indole]-2'-one
SMILESCN1C(=O)C2(Nc3cc(Cl)ccc3S2)c2cc(Cl)ccc21
InChIInChI=1S/C15H10Cl2N2OS/c1-19-12-4-2-8(16)6-10(12)15(14(19)20)18-11-7-9(17)3-5-13(11)21-15/h2-7,18H,1H3
InChIKeyAKFITMYOLBGOCM-UHFFFAOYSA-N
XLogP4.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.23
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-3-hydroxy-1-methyl-3-(trifluoromethyl)indol-2-one
CID 102474299
(3R)-5-chloro-3-(2,2-difluoroethyl)-1,3-dimethylindol-2-one
CID 125494618
5-chloro-2-methyl-3H-1,3-benzothiazole-2-carboxylic acid
CID 91728643
(3R)-5-chloro-3-hydroxy-1-methyl-3-prop-2-enylindol-2-one
CID 102579900
(3R)-3-[(2S)-but-3-en-2-yl]-5-chloro-3-hydroxy-1-methylindol-2-one
CID 134965310
7-chloro-1',5'-dimethyl-3-propylspiro[1H-quinazoline-2,3'-indole]-2',4-dione
CID 138057447
5-chloro-1,3-dimethyl-3-(2-nitroethyl)indol-2-one
CID 162413212
(3R)-3-[2-(4-bromophenyl)-2-oxoethyl]-5-chloro-3-hydroxy-1-methylindol-2-one
CID 1259023
(4S)-6-chloro-4-methoxy-1-methyl-4-phenyl-3,1-benzoxazin-2-one
CID 162345531
(3S)-5-chloro-3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1-methylindol-2-one
CID 888881
6-chloro-1,3-dimethyl-3,4-dihydroquinoxalin-2-one
CID 83509943
4-[2-(2,7-dichloro-9,9-dimethylacridin-10-yl)ethyl]-1,2,5-thiadiazol-3-one
CID 123579370

Frequently Asked Questions

What is the IUPAC name of 5,5'-dichloro-1'-methylspiro[3H-1,3-benzothiazole-2,3'-indole]-2'-one?
The IUPAC name of 5,5'-dichloro-1'-methylspiro[3H-1,3-benzothiazole-2,3'-indole]-2'-one (CID 155813012) is 5,5'-dichloro-1'-methylspiro[3H-1,3-benzothiazole-2,3'-indole]-2'-one.
What is the SMILES notation for 5,5'-dichloro-1'-methylspiro[3H-1,3-benzothiazole-2,3'-indole]-2'-one?
The canonical SMILES for 5,5'-dichloro-1'-methylspiro[3H-1,3-benzothiazole-2,3'-indole]-2'-one is CN1C(=O)C2(Nc3cc(Cl)ccc3S2)c2cc(Cl)ccc21.
What is the InChIKey of 5,5'-dichloro-1'-methylspiro[3H-1,3-benzothiazole-2,3'-indole]-2'-one?
The InChIKey is AKFITMYOLBGOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2OS/c1-19-12-4-2-8(16)6-10(12)15(14(19)20)18-11-7-9(17)3-5-13(11)21-15/h2-7,18H,1H3.
What are the key properties of 5,5'-dichloro-1'-methylspiro[3H-1,3-benzothiazole-2,3'-indole]-2'-one?
5,5'-dichloro-1'-methylspiro[3H-1,3-benzothiazole-2,3'-indole]-2'-one has a molecular weight of 337.23 g/mol, XLogP of 4.34, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5'-dichloro-1'-methylspiro[3H-1,3-benzothiazole-2,3'-indole]-2'-one is sourced from PubChem (CID 155813012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).