2-(4-aminophenyl)-7-iodo-1,3-benzothiazol-6-ol;2-[4-(4-fluorobutylamino)phenyl]-1,3-benzothiazol-6-ol;2-[3-fluoro-4-(methylamino)phenyl]-1,3-benzothiazol-6-ol;2-[4-(3-fluoropropylamino)phenyl]-1,3-benzothiazol-6-ol;7-iodo-2-(4-methoxyphenyl)-1,3-benzothiazol-6-amine;7-iodo-2-[4-(methylamino)phenyl]-1,3-benzothiazol-6-ol;2-(4-methoxyphenyl)-1,3-benzothiazol-6-amine

C102H86F3I3N14O7S7 — CID 161239947

IUPAC2-(4-aminophenyl)-7-iodo-1,3-benzothiazol-6-ol;2-[4-(4-fluorobutylamino)phenyl]-1,3-benzothiazol-6-ol;2-[3-fluoro-4-(methylamino)phenyl]-1,3-benzothiazol-6-ol;2-[4-(3-fluoropropylamino)phenyl]-1,3-benzothiazol-6-ol;7-iodo-2-(4-methoxyphenyl)-1,3-benzothiazol-6-amine;7-iodo-2-[4-(methylamino)phenyl]-1,3-benzothiazol-6-ol;2-(4-methoxyphenyl)-1,3-benzothiazol-6-amine
SMILESCNc1ccc(-c2nc3ccc(O)c(I)c3s2)cc1.CNc1ccc(-c2nc3ccc(O)cc3s2)cc1F.COc1ccc(-c2nc3ccc(N)c(I)c3s2)cc1.COc1ccc(-c2nc3ccc(N)cc3s2)cc1.Nc1ccc(-c2nc3ccc(O)c(I)c3s2)cc1.Oc1ccc2nc(-c3ccc(NCCCCF)cc3)sc2c1.Oc1ccc2nc(-c3ccc(NCCCF)cc3)sc2c1
InChIInChI=1S/C17H17FN2OS.C16H15FN2OS.C14H11FN2OS.2C14H11IN2OS.C14H12N2OS.C13H9IN2OS/c18-9-1-2-10-19-13-5-3-12(4-6-13)17-20-15-8-7-14(21)11-16(15)22-17;17-8-1-9-18-12-4-2-11(3-5-12)16-19-14-7-6-13(20)10-15(14)21-16;1-16-11-4-2-8(6-10(11)15)14-17-12-5-3-9(18)7-13(12)19-14;1-16-9-4-2-8(3-5-9)14-17-10-6-7-11(18)12(15)13(10)19-14;1-18-9-4-2-8(3-5-9)14-17-11-7-6-10(16)12(15)13(11)19-14;1-17-11-5-2-9(3-6-11)14-16-12-7-4-10(15)8-13(12)18-14;14-11-10(17)6-5-9-12(11)18-13(16-9)7-1-3-8(15)4-2-7/h3-8,11,19,21H,1-2,9-10H2;2-7,10,18,20H,1,8-9H2;2*2-7,16,18H,1H3;2-7H,16H2,1H3;2-8H,15H2,1H3;1-6,17H,15H2
InChIKeyUZWAWRPSOUQZBK-UHFFFAOYSA-N
MW2282.08 g/mol
LogP29.00
Rot. Bonds20

About 2-(4-aminophenyl)-7-iodo-1,3-benzothiazol-6-ol;2-[4-(4-fluorobutylamino)phenyl]-1,3-benzothiazol-6-ol;2-[3-fluoro-4-(methylamino)phenyl]-1,3-benzothiazol-6-ol;2-[4-(3-fluoropropylamino)phenyl]-1,3-benzothiazol-6-ol;7-iodo-2-(4-methoxyphenyl)-1,3-benzothiazol-6-amine;7-iodo-2-[4-(methylamino)phenyl]-1,3-benzothiazol-6-ol;2-(4-methoxyphenyl)-1,3-benzothiazol-6-amine

2-(4-aminophenyl)-7-iodo-1,3-benzothiazol-6-ol;2-[4-(4-fluorobutylamino)phenyl]-1,3-benzothiazol-6-ol;2-[3-fluoro-4-(methylamino)phenyl]-1,3-benzothiazol-6-ol;2-[4-(3-fluoropropylamino)phenyl]-1,3-benzothiazol-6-ol;7-iodo-2-(4-methoxyphenyl)-1,3-benzothiazol-6-amine;7-iodo-2-[4-(methylamino)phenyl]-1,3-benzothiazol-6-ol;2-(4-methoxyphenyl)-1,3-benzothiazol-6-amine (PubChem CID 161239947) has the molecular formula C102H86F3I3N14O7S7 and a molecular weight of 2282.08 g/mol. Its IUPAC name is 2-(4-aminophenyl)-7-iodo-1,3-benzothiazol-6-ol;2-[4-(4-fluorobutylamino)phenyl]-1,3-benzothiazol-6-ol;2-[3-fluoro-4-(methylamino)phenyl]-1,3-benzothiazol-6-ol;2-[4-(3-fluoropropylamino)phenyl]-1,3-benzothiazol-6-ol;7-iodo-2-(4-methoxyphenyl)-1,3-benzothiazol-6-amine;7-iodo-2-[4-(methylamino)phenyl]-1,3-benzothiazol-6-ol;2-(4-methoxyphenyl)-1,3-benzothiazol-6-amine.

Molecular Properties

Compound Name2-(4-aminophenyl)-7-iodo-1,3-benzothiazol-6-ol;2-[4-(4-fluorobutylamino)phenyl]-1,3-benzothiazol-6-ol;2-[3-fluoro-4-(methylamino)phenyl]-1,3-benzothiazol-6-ol;2-[4-(3-fluoropropylamino)phenyl]-1,3-benzothiazol-6-ol;7-iodo-2-(4-methoxyphenyl)-1,3-benzothiazol-6-amine;7-iodo-2-[4-(methylamino)phenyl]-1,3-benzothiazol-6-ol;2-(4-methoxyphenyl)-1,3-benzothiazol-6-amine
PubChem CID161239947
Molecular FormulaC102H86F3I3N14O7S7
Molecular Weight2282.08 g/mol
Exact Mass2280.19
IUPAC Name2-(4-aminophenyl)-7-iodo-1,3-benzothiazol-6-ol;2-[4-(4-fluorobutylamino)phenyl]-1,3-benzothiazol-6-ol;2-[3-fluoro-4-(methylamino)phenyl]-1,3-benzothiazol-6-ol;2-[4-(3-fluoropropylamino)phenyl]-1,3-benzothiazol-6-ol;7-iodo-2-(4-methoxyphenyl)-1,3-benzothiazol-6-amine;7-iodo-2-[4-(methylamino)phenyl]-1,3-benzothiazol-6-ol;2-(4-methoxyphenyl)-1,3-benzothiazol-6-amine
SMILESCNc1ccc(-c2nc3ccc(O)c(I)c3s2)cc1.CNc1ccc(-c2nc3ccc(O)cc3s2)cc1F.COc1ccc(-c2nc3ccc(N)c(I)c3s2)cc1.COc1ccc(-c2nc3ccc(N)cc3s2)cc1.Nc1ccc(-c2nc3ccc(O)c(I)c3s2)cc1.Oc1ccc2nc(-c3ccc(NCCCCF)cc3)sc2c1.Oc1ccc2nc(-c3ccc(NCCCF)cc3)sc2c1
InChIInChI=1S/C17H17FN2OS.C16H15FN2OS.C14H11FN2OS.2C14H11IN2OS.C14H12N2OS.C13H9IN2OS/c18-9-1-2-10-19-13-5-3-12(4-6-13)17-20-15-8-7-14(21)11-16(15)22-17;17-8-1-9-18-12-4-2-11(3-5-12)16-19-14-7-6-13(20)10-15(14)21-16;1-16-11-4-2-8(6-10(11)15)14-17-12-5-3-9(18)7-13(12)19-14;1-16-9-4-2-8(3-5-9)14-17-10-6-7-11(18)12(15)13(10)19-14;1-18-9-4-2-8(3-5-9)14-17-11-7-6-10(16)12(15)13(11)19-14;1-17-11-5-2-9(3-6-11)14-16-12-7-4-10(15)8-13(12)18-14;14-11-10(17)6-5-9-12(11)18-13(16-9)7-1-3-8(15)4-2-7/h3-8,11,19,21H,1-2,9-10H2;2-7,10,18,20H,1,8-9H2;2*2-7,16,18H,1H3;2-7H,16H2,1H3;2-8H,15H2,1H3;1-6,17H,15H2
InChIKeyUZWAWRPSOUQZBK-UHFFFAOYSA-N
XLogP29.00
TPSA336.02 Ų
H-Bond Donors12
H-Bond Acceptors28
Rotatable Bonds20
Heavy Atoms136
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002282.08
LogP ≤ 529.00
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-(4-aminophenyl)-7-iodo-1,3-benzothiazol-6-ol;2-[4-(4-fluorobutylamino)phenyl]-1,3-benzothiazol-6-ol;2-[3-fluoro-4-(methylamino)phenyl]-1,3-benzothiazol-6-ol;2-[4-(3-fluoropropylamino)phenyl]-1,3-benzothiazol-6-ol;7-iodo-2-(4-methoxyphenyl)-1,3-benzothiazol-6-amine;7-iodo-2-[4-(methylamino)phenyl]-1,3-benzothiazol-6-ol;2-(4-methoxyphenyl)-1,3-benzothiazol-6-amine with MolForge

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Related Compounds

2-(4-aminophenyl)-7-methyl-1,3-benzothiazol-6-ol;7-iodo-2-(4-methoxyphenyl)-1,3-benzothiazol-6-amine
CID 142942975
4-(6-amino-7-iodo-1,3-benzothiazol-2-yl)phenol;7-iodo-2-(4-methoxyphenyl)-1,3-benzothiazol-6-amine;4-(7-methyl-1,3-benzothiazol-2-yl)aniline
CID 142942995
2-iodo-4-(6-methoxy-1,3-benzothiazol-2-yl)aniline;4-(6-methoxy-1,3-benzothiazol-2-yl)aniline
CID 160555222
2-fluoro-N-methyl-4-[6-[(2-methylpropan-2-yl)oxy]-1,3-benzothiazol-2-yl]aniline
CID 146640128
4-[6-(2-fluoroethoxy)-1,3-benzothiazol-2-yl]-N-methylaniline
CID 75238702
CID 159973950
CID 159973950
N'-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pentane-1,5-diamine
CID 59230776
2-[4-(butylamino)phenyl]-1,3-benzothiazol-6-amine;N-butyl-4-(6-nitro-1,3-benzothiazol-2-yl)aniline
CID 161454229
3-fluoro-2-[[2-[4-(methylamino)phenyl]-1,3-benzothiazol-6-yl]oxy]propan-1-ol
CID 25145561
4-fluoro-3-(6-methoxy-1,3-benzothiazol-2-yl)aniline
CID 79511099
3-fluoro-4-(6-methoxy-1,3-benzothiazol-2-yl)phenol
CID 136751643
2-[4-(methylamino)phenyl]-1,3-benzothiazol-6-ol;2-propoxyethyl methanesulfonate
CID 91334389

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-7-iodo-1,3-benzothiazol-6-ol;2-[4-(4-fluorobutylamino)phenyl]-1,3-benzothiazol-6-ol;2-[3-fluoro-4-(methylamino)phenyl]-1,3-benzothiazol-6-ol;2-[4-(3-fluoropropylamino)phenyl]-1,3-benzothiazol-6-ol;7-iodo-2-(4-methoxyphenyl)-1,3-benzothiazol-6-amine;7-iodo-2-[4-(methylamino)phenyl]-1,3-benzothiazol-6-ol;2-(4-methoxyphenyl)-1,3-benzothiazol-6-amine?
The IUPAC name of 2-(4-aminophenyl)-7-iodo-1,3-benzothiazol-6-ol;2-[4-(4-fluorobutylamino)phenyl]-1,3-benzothiazol-6-ol;2-[3-fluoro-4-(methylamino)phenyl]-1,3-benzothiazol-6-ol;2-[4-(3-fluoropropylamino)phenyl]-1,3-benzothiazol-6-ol;7-iodo-2-(4-methoxyphenyl)-1,3-benzothiazol-6-amine;7-iodo-2-[4-(methylamino)phenyl]-1,3-benzothiazol-6-ol;2-(4-methoxyphenyl)-1,3-benzothiazol-6-amine (CID 161239947) is 2-(4-aminophenyl)-7-iodo-1,3-benzothiazol-6-ol;2-[4-(4-fluorobutylamino)phenyl]-1,3-benzothiazol-6-ol;2-[3-fluoro-4-(methylamino)phenyl]-1,3-benzothiazol-6-ol;2-[4-(3-fluoropropylamino)phenyl]-1,3-benzothiazol-6-ol;7-iodo-2-(4-methoxyphenyl)-1,3-benzothiazol-6-amine;7-iodo-2-[4-(methylamino)phenyl]-1,3-benzothiazol-6-ol;2-(4-methoxyphenyl)-1,3-benzothiazol-6-amine.
What is the SMILES notation for 2-(4-aminophenyl)-7-iodo-1,3-benzothiazol-6-ol;2-[4-(4-fluorobutylamino)phenyl]-1,3-benzothiazol-6-ol;2-[3-fluoro-4-(methylamino)phenyl]-1,3-benzothiazol-6-ol;2-[4-(3-fluoropropylamino)phenyl]-1,3-benzothiazol-6-ol;7-iodo-2-(4-methoxyphenyl)-1,3-benzothiazol-6-amine;7-iodo-2-[4-(methylamino)phenyl]-1,3-benzothiazol-6-ol;2-(4-methoxyphenyl)-1,3-benzothiazol-6-amine?
The canonical SMILES for 2-(4-aminophenyl)-7-iodo-1,3-benzothiazol-6-ol;2-[4-(4-fluorobutylamino)phenyl]-1,3-benzothiazol-6-ol;2-[3-fluoro-4-(methylamino)phenyl]-1,3-benzothiazol-6-ol;2-[4-(3-fluoropropylamino)phenyl]-1,3-benzothiazol-6-ol;7-iodo-2-(4-methoxyphenyl)-1,3-benzothiazol-6-amine;7-iodo-2-[4-(methylamino)phenyl]-1,3-benzothiazol-6-ol;2-(4-methoxyphenyl)-1,3-benzothiazol-6-amine is CNc1ccc(-c2nc3ccc(O)c(I)c3s2)cc1.CNc1ccc(-c2nc3ccc(O)cc3s2)cc1F.COc1ccc(-c2nc3ccc(N)c(I)c3s2)cc1.COc1ccc(-c2nc3ccc(N)cc3s2)cc1.Nc1ccc(-c2nc3ccc(O)c(I)c3s2)cc1.Oc1ccc2nc(-c3ccc(NCCCCF)cc3)sc2c1.Oc1ccc2nc(-c3ccc(NCCCF)cc3)sc2c1.
What is the InChIKey of 2-(4-aminophenyl)-7-iodo-1,3-benzothiazol-6-ol;2-[4-(4-fluorobutylamino)phenyl]-1,3-benzothiazol-6-ol;2-[3-fluoro-4-(methylamino)phenyl]-1,3-benzothiazol-6-ol;2-[4-(3-fluoropropylamino)phenyl]-1,3-benzothiazol-6-ol;7-iodo-2-(4-methoxyphenyl)-1,3-benzothiazol-6-amine;7-iodo-2-[4-(methylamino)phenyl]-1,3-benzothiazol-6-ol;2-(4-methoxyphenyl)-1,3-benzothiazol-6-amine?
The InChIKey is UZWAWRPSOUQZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2OS.C16H15FN2OS.C14H11FN2OS.2C14H11IN2OS.C14H12N2OS.C13H9IN2OS/c18-9-1-2-10-19-13-5-3-12(4-6-13)17-20-15-8-7-14(21)11-16(15)22-17;17-8-1-9-18-12-4-2-11(3-5-12)16-19-14-7-6-13(20)10-15(14)21-16;1-16-11-4-2-8(6-10(11)15)14-17-12-5-3-9(18)7-13(12)19-14;1-16-9-4-2-8(3-5-9)14-17-10-6-7-11(18)12(15)13(10)19-14;1-18-9-4-2-8(3-5-9)14-17-11-7-6-10(16)12(15)13(11)19-14;1-17-11-5-2-9(3-6-11)14-16-12-7-4-10(15)8-13(12)18-14;14-11-10(17)6-5-9-12(11)18-13(16-9)7-1-3-8(15)4-2-7/h3-8,11,19,21H,1-2,9-10H2;2-7,10,18,20H,1,8-9H2;2*2-7,16,18H,1H3;2-7H,16H2,1H3;2-8H,15H2,1H3;1-6,17H,15H2.
What are the key properties of 2-(4-aminophenyl)-7-iodo-1,3-benzothiazol-6-ol;2-[4-(4-fluorobutylamino)phenyl]-1,3-benzothiazol-6-ol;2-[3-fluoro-4-(methylamino)phenyl]-1,3-benzothiazol-6-ol;2-[4-(3-fluoropropylamino)phenyl]-1,3-benzothiazol-6-ol;7-iodo-2-(4-methoxyphenyl)-1,3-benzothiazol-6-amine;7-iodo-2-[4-(methylamino)phenyl]-1,3-benzothiazol-6-ol;2-(4-methoxyphenyl)-1,3-benzothiazol-6-amine?
2-(4-aminophenyl)-7-iodo-1,3-benzothiazol-6-ol;2-[4-(4-fluorobutylamino)phenyl]-1,3-benzothiazol-6-ol;2-[3-fluoro-4-(methylamino)phenyl]-1,3-benzothiazol-6-ol;2-[4-(3-fluoropropylamino)phenyl]-1,3-benzothiazol-6-ol;7-iodo-2-(4-methoxyphenyl)-1,3-benzothiazol-6-amine;7-iodo-2-[4-(methylamino)phenyl]-1,3-benzothiazol-6-ol;2-(4-methoxyphenyl)-1,3-benzothiazol-6-amine has a molecular weight of 2282.08 g/mol, XLogP of 29.00, 20 rotatable bonds, 12 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-7-iodo-1,3-benzothiazol-6-ol;2-[4-(4-fluorobutylamino)phenyl]-1,3-benzothiazol-6-ol;2-[3-fluoro-4-(methylamino)phenyl]-1,3-benzothiazol-6-ol;2-[4-(3-fluoropropylamino)phenyl]-1,3-benzothiazol-6-ol;7-iodo-2-(4-methoxyphenyl)-1,3-benzothiazol-6-amine;7-iodo-2-[4-(methylamino)phenyl]-1,3-benzothiazol-6-ol;2-(4-methoxyphenyl)-1,3-benzothiazol-6-amine is sourced from PubChem (CID 161239947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).