3-(1,3-benzothiazol-2-yl)chromen-2-one;2-(1-benzothiophen-2-yl)-1,3-benzothiazole;2-(1-benzothiophen-2-yl)-1-phenylbenzimidazole;1,2-diphenylbenzimidazole;2-naphthalen-1-yl-1,3-benzothiazole;2-naphthalen-2-yl-1,3-benzothiazole;2-naphthalen-1-yl-1-phenylbenzimidazole;2-naphthalen-2-yl-1-phenylbenzimidazole;1-phenyl-2-thiophen-2-ylbenzimidazole;2-thiophen-2-yl-1,3-benzothiazole

C179H119N15O2S9 — CID 158062249

IUPAC3-(1,3-benzothiazol-2-yl)chromen-2-one;2-(1-benzothiophen-2-yl)-1,3-benzothiazole;2-(1-benzothiophen-2-yl)-1-phenylbenzimidazole;1,2-diphenylbenzimidazole;2-naphthalen-1-yl-1,3-benzothiazole;2-naphthalen-2-yl-1,3-benzothiazole;2-naphthalen-1-yl-1-phenylbenzimidazole;2-naphthalen-2-yl-1-phenylbenzimidazole;1-phenyl-2-thiophen-2-ylbenzimidazole;2-thiophen-2-yl-1,3-benzothiazole
SMILESO=c1oc2ccccc2cc1-c1nc2ccccc2s1.c1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1.c1ccc(-n2c(-c3cc4ccccc4s3)nc3ccccc32)cc1.c1ccc(-n2c(-c3ccc4ccccc4c3)nc3ccccc32)cc1.c1ccc(-n2c(-c3cccc4ccccc34)nc3ccccc32)cc1.c1ccc(-n2c(-c3cccs3)nc3ccccc32)cc1.c1ccc2c(-c3nc4ccccc4s3)cccc2c1.c1ccc2cc(-c3nc4ccccc4s3)ccc2c1.c1ccc2sc(-c3nc4ccccc4s3)cc2c1.c1csc(-c2nc3ccccc3s2)c1
InChIInChI=1S/2C23H16N2.C21H14N2S.C19H14N2.C17H12N2S.2C17H11NS.C16H9NO2S.C15H9NS2.C11H7NS2/c1-2-11-18(12-3-1)25-22-16-7-6-15-21(22)24-23(25)20-14-8-10-17-9-4-5-13-19(17)20;1-2-10-20(11-3-1)25-22-13-7-6-12-21(22)24-23(25)19-15-14-17-8-4-5-9-18(17)16-19;1-2-9-16(10-3-1)23-18-12-6-5-11-17(18)22-21(23)20-14-15-8-4-7-13-19(15)24-20;1-3-9-15(10-4-1)19-20-17-13-7-8-14-18(17)21(19)16-11-5-2-6-12-16;1-2-7-13(8-3-1)19-15-10-5-4-9-14(15)18-17(19)16-11-6-12-20-16;1-2-8-13-12(6-1)7-5-9-14(13)17-18-15-10-3-4-11-16(15)19-17;1-2-6-13-11-14(10-9-12(13)5-1)17-18-15-7-3-4-8-16(15)19-17;18-16-11(9-10-5-1-3-7-13(10)19-16)15-17-12-6-2-4-8-14(12)20-15;1-3-7-12-10(5-1)9-14(17-12)15-16-11-6-2-4-8-13(11)18-15;1-2-5-9-8(4-1)12-11(14-9)10-6-3-7-13-10/h2*1-16H;1-14H;1-14H;1-12H;2*1-11H;1-9H;1-9H;1-7H
InChIKeyFKUFJKYRWTVUBO-UHFFFAOYSA-N
MW2800.63 g/mol
LogP50.55
Rot. Bonds15

About 3-(1,3-benzothiazol-2-yl)chromen-2-one;2-(1-benzothiophen-2-yl)-1,3-benzothiazole;2-(1-benzothiophen-2-yl)-1-phenylbenzimidazole;1,2-diphenylbenzimidazole;2-naphthalen-1-yl-1,3-benzothiazole;2-naphthalen-2-yl-1,3-benzothiazole;2-naphthalen-1-yl-1-phenylbenzimidazole;2-naphthalen-2-yl-1-phenylbenzimidazole;1-phenyl-2-thiophen-2-ylbenzimidazole;2-thiophen-2-yl-1,3-benzothiazole

3-(1,3-benzothiazol-2-yl)chromen-2-one;2-(1-benzothiophen-2-yl)-1,3-benzothiazole;2-(1-benzothiophen-2-yl)-1-phenylbenzimidazole;1,2-diphenylbenzimidazole;2-naphthalen-1-yl-1,3-benzothiazole;2-naphthalen-2-yl-1,3-benzothiazole;2-naphthalen-1-yl-1-phenylbenzimidazole;2-naphthalen-2-yl-1-phenylbenzimidazole;1-phenyl-2-thiophen-2-ylbenzimidazole;2-thiophen-2-yl-1,3-benzothiazole (PubChem CID 158062249) has the molecular formula C179H119N15O2S9 and a molecular weight of 2800.63 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-2-yl)chromen-2-one;2-(1-benzothiophen-2-yl)-1,3-benzothiazole;2-(1-benzothiophen-2-yl)-1-phenylbenzimidazole;1,2-diphenylbenzimidazole;2-naphthalen-1-yl-1,3-benzothiazole;2-naphthalen-2-yl-1,3-benzothiazole;2-naphthalen-1-yl-1-phenylbenzimidazole;2-naphthalen-2-yl-1-phenylbenzimidazole;1-phenyl-2-thiophen-2-ylbenzimidazole;2-thiophen-2-yl-1,3-benzothiazole.

Molecular Properties

Compound Name3-(1,3-benzothiazol-2-yl)chromen-2-one;2-(1-benzothiophen-2-yl)-1,3-benzothiazole;2-(1-benzothiophen-2-yl)-1-phenylbenzimidazole;1,2-diphenylbenzimidazole;2-naphthalen-1-yl-1,3-benzothiazole;2-naphthalen-2-yl-1,3-benzothiazole;2-naphthalen-1-yl-1-phenylbenzimidazole;2-naphthalen-2-yl-1-phenylbenzimidazole;1-phenyl-2-thiophen-2-ylbenzimidazole;2-thiophen-2-yl-1,3-benzothiazole
PubChem CID158062249
Molecular FormulaC179H119N15O2S9
Molecular Weight2800.63 g/mol
Exact Mass2797.72
IUPAC Name3-(1,3-benzothiazol-2-yl)chromen-2-one;2-(1-benzothiophen-2-yl)-1,3-benzothiazole;2-(1-benzothiophen-2-yl)-1-phenylbenzimidazole;1,2-diphenylbenzimidazole;2-naphthalen-1-yl-1,3-benzothiazole;2-naphthalen-2-yl-1,3-benzothiazole;2-naphthalen-1-yl-1-phenylbenzimidazole;2-naphthalen-2-yl-1-phenylbenzimidazole;1-phenyl-2-thiophen-2-ylbenzimidazole;2-thiophen-2-yl-1,3-benzothiazole
SMILESO=c1oc2ccccc2cc1-c1nc2ccccc2s1.c1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1.c1ccc(-n2c(-c3cc4ccccc4s3)nc3ccccc32)cc1.c1ccc(-n2c(-c3ccc4ccccc4c3)nc3ccccc32)cc1.c1ccc(-n2c(-c3cccc4ccccc34)nc3ccccc32)cc1.c1ccc(-n2c(-c3cccs3)nc3ccccc32)cc1.c1ccc2c(-c3nc4ccccc4s3)cccc2c1.c1ccc2cc(-c3nc4ccccc4s3)ccc2c1.c1ccc2sc(-c3nc4ccccc4s3)cc2c1.c1csc(-c2nc3ccccc3s2)c1
InChIInChI=1S/2C23H16N2.C21H14N2S.C19H14N2.C17H12N2S.2C17H11NS.C16H9NO2S.C15H9NS2.C11H7NS2/c1-2-11-18(12-3-1)25-22-16-7-6-15-21(22)24-23(25)20-14-8-10-17-9-4-5-13-19(17)20;1-2-10-20(11-3-1)25-22-13-7-6-12-21(22)24-23(25)19-15-14-17-8-4-5-9-18(17)16-19;1-2-9-16(10-3-1)23-18-12-6-5-11-17(18)22-21(23)20-14-15-8-4-7-13-19(15)24-20;1-3-9-15(10-4-1)19-20-17-13-7-8-14-18(17)21(19)16-11-5-2-6-12-16;1-2-7-13(8-3-1)19-15-10-5-4-9-14(15)18-17(19)16-11-6-12-20-16;1-2-8-13-12(6-1)7-5-9-14(13)17-18-15-10-3-4-11-16(15)19-17;1-2-6-13-11-14(10-9-12(13)5-1)17-18-15-7-3-4-8-16(15)19-17;18-16-11(9-10-5-1-3-7-13(10)19-16)15-17-12-6-2-4-8-14(12)20-15;1-3-7-12-10(5-1)9-14(17-12)15-16-11-6-2-4-8-13(11)18-15;1-2-5-9-8(4-1)12-11(14-9)10-6-3-7-13-10/h2*1-16H;1-14H;1-14H;1-12H;2*1-11H;1-9H;1-9H;1-7H
InChIKeyFKUFJKYRWTVUBO-UHFFFAOYSA-N
XLogP50.55
TPSA183.76 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds15
Heavy Atoms205
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002800.63
LogP ≤ 550.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze 3-(1,3-benzothiazol-2-yl)chromen-2-one;2-(1-benzothiophen-2-yl)-1,3-benzothiazole;2-(1-benzothiophen-2-yl)-1-phenylbenzimidazole;1,2-diphenylbenzimidazole;2-naphthalen-1-yl-1,3-benzothiazole;2-naphthalen-2-yl-1,3-benzothiazole;2-naphthalen-1-yl-1-phenylbenzimidazole;2-naphthalen-2-yl-1-phenylbenzimidazole;1-phenyl-2-thiophen-2-ylbenzimidazole;2-thiophen-2-yl-1,3-benzothiazole with MolForge

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Related Compounds

3-(7-Cyclohexylbenzo[g][1,3]benzothiazol-2-yl)-7-(dibenzylamino)chromen-2-one;3-(7-cyclohexylbenzo[g][1,3]benzothiazol-2-yl)-7-(dibenzylamino)-4-(trifluoromethyl)chromen-2-one;3-(7-cyclohexyl-1-methylbenzo[e]benzimidazol-2-yl)-7-(dibenzylamino)-4-(trifluoromethyl)chromen-2-one
CID 159634276
4,7-Bis(4-dibenzofuran-4-ylphenyl)-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3-benzothiazole
CID 121425780
2-Dibenzofuran-4-yl-4,7-bis(1-phenylbenzimidazol-2-yl)-1,3-benzothiazole
CID 121425843
2-Dibenzofuran-4-yl-4,7-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3-benzothiazole
CID 121425854
2-(4-Dibenzofuran-4-ylphenyl)-4,7-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3-benzothiazole
CID 121425858
2-[4-(8,9-Dihydrodibenzofuran-4-yl)phenyl]-4,7-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3-benzothiazole
CID 144624155
Beryllium;bis(2-(1,3-benzothiazol-2-yl)phenolate);2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-1-yl]-1-phenylbenzimidazole;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole
CID 157058323
4-dibenzofuran-4-yl-N-phenyl-N-[4-(1-phenylbenzimidazol-2-yl)phenyl]aniline;4-dibenzothiophen-4-yl-N-phenyl-N-[4-(1-phenylbenzimidazol-2-yl)phenyl]aniline;N,4-diphenyl-N-[4-(1-phenylbenzimidazol-2-yl)phenyl]aniline;4-naphthalen-1-yl-N-phenyl-N-[4-(1-phenylbenzimidazol-2-yl)phenyl]aniline;4-naphthalen-2-yl-N-phenyl-N-[4-(1-phenylbenzimidazol-2-yl)phenyl]aniline;4-phenanthren-9-yl-N-phenyl-N-[4-(1-phenylbenzimidazol-2-yl)phenyl]aniline;4-phenyl-N-[4-(1-phenylbenzimidazol-2-yl)phenyl]-N-(4-phenylphenyl)aniline;N-phenyl-N-[4-(1-phenylbenzimidazol-2-yl)phenyl]-4-triphenylen-2-ylaniline
CID 157065745
2-[3-[9-(4-Carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-1,3-benzothiazole;2-[4-[9-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-1,3-benzothiazole
CID 157082047
4,7-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-2-(9-phenylcarbazol-3-yl)-1,3-benzothiazole;2-carbazol-9-yl-4,7-bis(1-phenylbenzimidazol-2-yl)-1,3-benzothiazole;2-dibenzofuran-2-yl-4,7-bis(1-phenylbenzimidazol-2-yl)-1,3-benzothiazole;2-dibenzofuran-4-yl-4,7-bis(1-phenylbenzimidazol-2-yl)-1,3-benzothiazole;N,N-diphenyl-4,7-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3-benzothiazol-2-amine;2-phenyl-4,7-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3-benzothiazole
CID 157261612
2-[9-[4-(3-Dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1-phenylbenzimidazole;2-[9-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1-phenylbenzimidazole;2-[9-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1-phenylbenzimidazole
CID 157388816
2-Methyl-1,3-benzothiazole;2-methyl-6-(4-methylphenyl)dibenzothiophene;2-methyl-1-phenylbenzimidazole;2-methyl-6-phenyldibenzofuran;4-(4-methylphenyl)dibenzofuran;2-methyl-6-phenyldibenzothiophene;2-methyl-1-(4-phenylphenyl)benzimidazole;2-methyl-5-phenylthiophene
CID 157671605

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-2-yl)chromen-2-one;2-(1-benzothiophen-2-yl)-1,3-benzothiazole;2-(1-benzothiophen-2-yl)-1-phenylbenzimidazole;1,2-diphenylbenzimidazole;2-naphthalen-1-yl-1,3-benzothiazole;2-naphthalen-2-yl-1,3-benzothiazole;2-naphthalen-1-yl-1-phenylbenzimidazole;2-naphthalen-2-yl-1-phenylbenzimidazole;1-phenyl-2-thiophen-2-ylbenzimidazole;2-thiophen-2-yl-1,3-benzothiazole?
The IUPAC name of 3-(1,3-benzothiazol-2-yl)chromen-2-one;2-(1-benzothiophen-2-yl)-1,3-benzothiazole;2-(1-benzothiophen-2-yl)-1-phenylbenzimidazole;1,2-diphenylbenzimidazole;2-naphthalen-1-yl-1,3-benzothiazole;2-naphthalen-2-yl-1,3-benzothiazole;2-naphthalen-1-yl-1-phenylbenzimidazole;2-naphthalen-2-yl-1-phenylbenzimidazole;1-phenyl-2-thiophen-2-ylbenzimidazole;2-thiophen-2-yl-1,3-benzothiazole (CID 158062249) is 3-(1,3-benzothiazol-2-yl)chromen-2-one;2-(1-benzothiophen-2-yl)-1,3-benzothiazole;2-(1-benzothiophen-2-yl)-1-phenylbenzimidazole;1,2-diphenylbenzimidazole;2-naphthalen-1-yl-1,3-benzothiazole;2-naphthalen-2-yl-1,3-benzothiazole;2-naphthalen-1-yl-1-phenylbenzimidazole;2-naphthalen-2-yl-1-phenylbenzimidazole;1-phenyl-2-thiophen-2-ylbenzimidazole;2-thiophen-2-yl-1,3-benzothiazole.
What is the SMILES notation for 3-(1,3-benzothiazol-2-yl)chromen-2-one;2-(1-benzothiophen-2-yl)-1,3-benzothiazole;2-(1-benzothiophen-2-yl)-1-phenylbenzimidazole;1,2-diphenylbenzimidazole;2-naphthalen-1-yl-1,3-benzothiazole;2-naphthalen-2-yl-1,3-benzothiazole;2-naphthalen-1-yl-1-phenylbenzimidazole;2-naphthalen-2-yl-1-phenylbenzimidazole;1-phenyl-2-thiophen-2-ylbenzimidazole;2-thiophen-2-yl-1,3-benzothiazole?
The canonical SMILES for 3-(1,3-benzothiazol-2-yl)chromen-2-one;2-(1-benzothiophen-2-yl)-1,3-benzothiazole;2-(1-benzothiophen-2-yl)-1-phenylbenzimidazole;1,2-diphenylbenzimidazole;2-naphthalen-1-yl-1,3-benzothiazole;2-naphthalen-2-yl-1,3-benzothiazole;2-naphthalen-1-yl-1-phenylbenzimidazole;2-naphthalen-2-yl-1-phenylbenzimidazole;1-phenyl-2-thiophen-2-ylbenzimidazole;2-thiophen-2-yl-1,3-benzothiazole is O=c1oc2ccccc2cc1-c1nc2ccccc2s1.c1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1.c1ccc(-n2c(-c3cc4ccccc4s3)nc3ccccc32)cc1.c1ccc(-n2c(-c3ccc4ccccc4c3)nc3ccccc32)cc1.c1ccc(-n2c(-c3cccc4ccccc34)nc3ccccc32)cc1.c1ccc(-n2c(-c3cccs3)nc3ccccc32)cc1.c1ccc2c(-c3nc4ccccc4s3)cccc2c1.c1ccc2cc(-c3nc4ccccc4s3)ccc2c1.c1ccc2sc(-c3nc4ccccc4s3)cc2c1.c1csc(-c2nc3ccccc3s2)c1.
What is the InChIKey of 3-(1,3-benzothiazol-2-yl)chromen-2-one;2-(1-benzothiophen-2-yl)-1,3-benzothiazole;2-(1-benzothiophen-2-yl)-1-phenylbenzimidazole;1,2-diphenylbenzimidazole;2-naphthalen-1-yl-1,3-benzothiazole;2-naphthalen-2-yl-1,3-benzothiazole;2-naphthalen-1-yl-1-phenylbenzimidazole;2-naphthalen-2-yl-1-phenylbenzimidazole;1-phenyl-2-thiophen-2-ylbenzimidazole;2-thiophen-2-yl-1,3-benzothiazole?
The InChIKey is FKUFJKYRWTVUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H16N2.C21H14N2S.C19H14N2.C17H12N2S.2C17H11NS.C16H9NO2S.C15H9NS2.C11H7NS2/c1-2-11-18(12-3-1)25-22-16-7-6-15-21(22)24-23(25)20-14-8-10-17-9-4-5-13-19(17)20;1-2-10-20(11-3-1)25-22-13-7-6-12-21(22)24-23(25)19-15-14-17-8-4-5-9-18(17)16-19;1-2-9-16(10-3-1)23-18-12-6-5-11-17(18)22-21(23)20-14-15-8-4-7-13-19(15)24-20;1-3-9-15(10-4-1)19-20-17-13-7-8-14-18(17)21(19)16-11-5-2-6-12-16;1-2-7-13(8-3-1)19-15-10-5-4-9-14(15)18-17(19)16-11-6-12-20-16;1-2-8-13-12(6-1)7-5-9-14(13)17-18-15-10-3-4-11-16(15)19-17;1-2-6-13-11-14(10-9-12(13)5-1)17-18-15-7-3-4-8-16(15)19-17;18-16-11(9-10-5-1-3-7-13(10)19-16)15-17-12-6-2-4-8-14(12)20-15;1-3-7-12-10(5-1)9-14(17-12)15-16-11-6-2-4-8-13(11)18-15;1-2-5-9-8(4-1)12-11(14-9)10-6-3-7-13-10/h2*1-16H;1-14H;1-14H;1-12H;2*1-11H;1-9H;1-9H;1-7H.
What are the key properties of 3-(1,3-benzothiazol-2-yl)chromen-2-one;2-(1-benzothiophen-2-yl)-1,3-benzothiazole;2-(1-benzothiophen-2-yl)-1-phenylbenzimidazole;1,2-diphenylbenzimidazole;2-naphthalen-1-yl-1,3-benzothiazole;2-naphthalen-2-yl-1,3-benzothiazole;2-naphthalen-1-yl-1-phenylbenzimidazole;2-naphthalen-2-yl-1-phenylbenzimidazole;1-phenyl-2-thiophen-2-ylbenzimidazole;2-thiophen-2-yl-1,3-benzothiazole?
3-(1,3-benzothiazol-2-yl)chromen-2-one;2-(1-benzothiophen-2-yl)-1,3-benzothiazole;2-(1-benzothiophen-2-yl)-1-phenylbenzimidazole;1,2-diphenylbenzimidazole;2-naphthalen-1-yl-1,3-benzothiazole;2-naphthalen-2-yl-1,3-benzothiazole;2-naphthalen-1-yl-1-phenylbenzimidazole;2-naphthalen-2-yl-1-phenylbenzimidazole;1-phenyl-2-thiophen-2-ylbenzimidazole;2-thiophen-2-yl-1,3-benzothiazole has a molecular weight of 2800.63 g/mol, XLogP of 50.55, 15 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzothiazol-2-yl)chromen-2-one;2-(1-benzothiophen-2-yl)-1,3-benzothiazole;2-(1-benzothiophen-2-yl)-1-phenylbenzimidazole;1,2-diphenylbenzimidazole;2-naphthalen-1-yl-1,3-benzothiazole;2-naphthalen-2-yl-1,3-benzothiazole;2-naphthalen-1-yl-1-phenylbenzimidazole;2-naphthalen-2-yl-1-phenylbenzimidazole;1-phenyl-2-thiophen-2-ylbenzimidazole;2-thiophen-2-yl-1,3-benzothiazole is sourced from PubChem (CID 158062249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).