10-(1,3-benzothiazol-2-yl)-[1]benzothiolo[3,2-b]indole

C21H12N2S2 — CID 121298667

IUPAC10-(1,3-benzothiazol-2-yl)-[1]benzothiolo[3,2-b]indole
SMILESc1ccc2sc(-n3c4ccccc4c4sc5ccccc5c43)nc2c1
InChIInChI=1S/C21H12N2S2/c1-4-10-16-13(7-1)20-19(14-8-2-5-11-17(14)24-20)23(16)21-22-15-9-3-6-12-18(15)25-21/h1-12H
InChIKeyJVSNBZLUEPTGTC-UHFFFAOYSA-N
MW356.48 g/mol
LogP6.61
Rot. Bonds1

About 10-(1,3-benzothiazol-2-yl)-[1]benzothiolo[3,2-b]indole

10-(1,3-benzothiazol-2-yl)-[1]benzothiolo[3,2-b]indole (PubChem CID 121298667) has the molecular formula C21H12N2S2 and a molecular weight of 356.48 g/mol. Its IUPAC name is 10-(1,3-benzothiazol-2-yl)-[1]benzothiolo[3,2-b]indole.

Molecular Properties

Compound Name10-(1,3-benzothiazol-2-yl)-[1]benzothiolo[3,2-b]indole
PubChem CID121298667
Molecular FormulaC21H12N2S2
Molecular Weight356.48 g/mol
Exact Mass356.04
IUPAC Name10-(1,3-benzothiazol-2-yl)-[1]benzothiolo[3,2-b]indole
SMILESc1ccc2sc(-n3c4ccccc4c4sc5ccccc5c43)nc2c1
InChIInChI=1S/C21H12N2S2/c1-4-10-16-13(7-1)20-19(14-8-2-5-11-17(14)24-20)23(16)21-22-15-9-3-6-12-18(15)25-21/h1-12H
InChIKeyJVSNBZLUEPTGTC-UHFFFAOYSA-N
XLogP6.61
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.48
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-phenylindolo[3,2-b]indol-10-yl)-1,3-benzothiazole
CID 121298561
10-pyrimidin-2-yl-[1]benzothiolo[3,2-b]indole
CID 121298662
2-[11-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-12-yl]-1,3-benzothiazole
CID 166582993
2-(16-phenyl-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaen-3-yl)-1,3-benzothiazole
CID 122465359
12-([1]benzothiolo[2,3-g][1,3]benzothiazol-2-yl)-[1]benzothiolo[3,2-a]carbazole
CID 167453883
2-(2-methylbenzimidazol-1-yl)-1,3-benzothiazole
CID 79753561
10-(4-chloronaphthalen-2-yl)-[1]benzothiolo[3,2-b]indole
CID 167133389
2-[8-[12-(1,3-benzothiazol-2-yl)-[1]benzothiolo[2,3-a]carbazol-2-yl]-2-[12-(1-methylbenzimidazol-2-yl)-[1]benzothiolo[2,3-a]carbazol-8-yl]-[1]benzothiolo[2,3-a]carbazol-12-yl]-1,3-benzoxazole
CID 130369561
2-(3-phenyl-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaen-16-yl)-1,3-benzothiazole
CID 122465341
7-(1,3-benzothiazol-2-yl)-[1]benzofuro[2,3-b]carbazole
CID 118502672
2-(16,16-dimethyl-3-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaen-3-yl)-1,3-benzothiazole
CID 122464525
2-(12,12-dimethyl-22-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-22-yl)-1,3-benzothiazole
CID 122464537

Frequently Asked Questions

What is the IUPAC name of 10-(1,3-benzothiazol-2-yl)-[1]benzothiolo[3,2-b]indole?
The IUPAC name of 10-(1,3-benzothiazol-2-yl)-[1]benzothiolo[3,2-b]indole (CID 121298667) is 10-(1,3-benzothiazol-2-yl)-[1]benzothiolo[3,2-b]indole.
What is the SMILES notation for 10-(1,3-benzothiazol-2-yl)-[1]benzothiolo[3,2-b]indole?
The canonical SMILES for 10-(1,3-benzothiazol-2-yl)-[1]benzothiolo[3,2-b]indole is c1ccc2sc(-n3c4ccccc4c4sc5ccccc5c43)nc2c1.
What is the InChIKey of 10-(1,3-benzothiazol-2-yl)-[1]benzothiolo[3,2-b]indole?
The InChIKey is JVSNBZLUEPTGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12N2S2/c1-4-10-16-13(7-1)20-19(14-8-2-5-11-17(14)24-20)23(16)21-22-15-9-3-6-12-18(15)25-21/h1-12H.
What are the key properties of 10-(1,3-benzothiazol-2-yl)-[1]benzothiolo[3,2-b]indole?
10-(1,3-benzothiazol-2-yl)-[1]benzothiolo[3,2-b]indole has a molecular weight of 356.48 g/mol, XLogP of 6.61, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(1,3-benzothiazol-2-yl)-[1]benzothiolo[3,2-b]indole is sourced from PubChem (CID 121298667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).