N-(2-ethyl-4-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-nitrophenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-3-pyridinyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;6-methyl-N-(1-methylbenzimidazol-4-yl)imidazo[4,5-e][1,3]benzothiazol-2-amine;methyl-[2-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]phenyl]-oxoazanium;6-methyl-N-phenylimidazo[4,5-e][1,3]benzothiazol-2-amine

C97H84N29O6S6+ — CID 161242548

IUPACN-(2-ethyl-4-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-nitrophenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-3-pyridinyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;6-methyl-N-(1-methylbenzimidazol-4-yl)imidazo[4,5-e][1,3]benzothiazol-2-amine;methyl-[2-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]phenyl]-oxoazanium;6-methyl-N-phenylimidazo[4,5-e][1,3]benzothiazol-2-amine
SMILESCCc1cc(OC)ccc1Nc1nc2c(ccc3c2ncn3C)s1.COc1ccc([N+](=O)[O-])cc1Nc1nc2c(ccc3c2ncn3C)s1.COc1ncccc1Nc1nc2c(ccc3c2ncn3C)s1.Cn1cnc2c(Nc3nc4c(ccc5c4ncn5C)s3)cccc21.Cn1cnc2c3nc(Nc4ccccc4)sc3ccc21.Cn1cnc2c3nc(Nc4ccccc4[N+](C)=O)sc3ccc21
InChIInChI=1S/C18H18N4OS.C17H14N6S.C16H13N5O3S.C16H14N5OS.C15H13N5OS.C15H12N4S/c1-4-11-9-12(23-3)5-6-13(11)20-18-21-17-15(24-18)8-7-14-16(17)19-10-22(14)2;1-22-8-18-14-10(4-3-5-11(14)22)20-17-21-16-13(24-17)7-6-12-15(16)19-9-23(12)2;1-20-8-17-14-11(20)4-6-13-15(14)19-16(25-13)18-10-7-9(21(22)23)3-5-12(10)24-2;1-20-9-17-14-12(20)7-8-13-15(14)19-16(23-13)18-10-5-3-4-6-11(10)21(2)22;1-20-8-17-12-10(20)5-6-11-13(12)19-15(22-11)18-9-4-3-7-16-14(9)21-2;1-19-9-16-13-11(19)7-8-12-14(13)18-15(20-12)17-10-5-3-2-4-6-10/h5-10H,4H2,1-3H3,(H,20,21);3-9H,1-2H3,(H,20,21);3-8H,1-2H3,(H,18,19);3-9H,1-2H3,(H,18,19);3-8H,1-2H3,(H,18,19);2-9H,1H3,(H,17,18)/q;;;+1;;
InChIKeyVAEZHYYVVIYAIO-UHFFFAOYSA-N
MW1944.34 g/mol
LogP23.38
Rot. Bonds18

About N-(2-ethyl-4-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-nitrophenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-3-pyridinyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;6-methyl-N-(1-methylbenzimidazol-4-yl)imidazo[4,5-e][1,3]benzothiazol-2-amine;methyl-[2-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]phenyl]-oxoazanium;6-methyl-N-phenylimidazo[4,5-e][1,3]benzothiazol-2-amine

N-(2-ethyl-4-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-nitrophenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-3-pyridinyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;6-methyl-N-(1-methylbenzimidazol-4-yl)imidazo[4,5-e][1,3]benzothiazol-2-amine;methyl-[2-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]phenyl]-oxoazanium;6-methyl-N-phenylimidazo[4,5-e][1,3]benzothiazol-2-amine (PubChem CID 161242548) has the molecular formula C97H84N29O6S6+ and a molecular weight of 1944.34 g/mol. Its IUPAC name is N-(2-ethyl-4-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-nitrophenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-3-pyridinyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;6-methyl-N-(1-methylbenzimidazol-4-yl)imidazo[4,5-e][1,3]benzothiazol-2-amine;methyl-[2-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]phenyl]-oxoazanium;6-methyl-N-phenylimidazo[4,5-e][1,3]benzothiazol-2-amine.

Molecular Properties

Compound NameN-(2-ethyl-4-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-nitrophenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-3-pyridinyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;6-methyl-N-(1-methylbenzimidazol-4-yl)imidazo[4,5-e][1,3]benzothiazol-2-amine;methyl-[2-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]phenyl]-oxoazanium;6-methyl-N-phenylimidazo[4,5-e][1,3]benzothiazol-2-amine
PubChem CID161242548
Molecular FormulaC97H84N29O6S6+
Molecular Weight1944.34 g/mol
Exact Mass1942.55
IUPAC NameN-(2-ethyl-4-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-nitrophenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-3-pyridinyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;6-methyl-N-(1-methylbenzimidazol-4-yl)imidazo[4,5-e][1,3]benzothiazol-2-amine;methyl-[2-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]phenyl]-oxoazanium;6-methyl-N-phenylimidazo[4,5-e][1,3]benzothiazol-2-amine
SMILESCCc1cc(OC)ccc1Nc1nc2c(ccc3c2ncn3C)s1.COc1ccc([N+](=O)[O-])cc1Nc1nc2c(ccc3c2ncn3C)s1.COc1ncccc1Nc1nc2c(ccc3c2ncn3C)s1.Cn1cnc2c(Nc3nc4c(ccc5c4ncn5C)s3)cccc21.Cn1cnc2c3nc(Nc4ccccc4)sc3ccc21.Cn1cnc2c3nc(Nc4ccccc4[N+](C)=O)sc3ccc21
InChIInChI=1S/C18H18N4OS.C17H14N6S.C16H13N5O3S.C16H14N5OS.C15H13N5OS.C15H12N4S/c1-4-11-9-12(23-3)5-6-13(11)20-18-21-17-15(24-18)8-7-14-16(17)19-10-22(14)2;1-22-8-18-14-10(4-3-5-11(14)22)20-17-21-16-13(24-17)7-6-12-15(16)19-9-23(12)2;1-20-8-17-14-11(20)4-6-13-15(14)19-16(25-13)18-10-7-9(21(22)23)3-5-12(10)24-2;1-20-9-17-14-12(20)7-8-13-15(14)19-16(23-13)18-10-5-3-4-6-11(10)21(2)22;1-20-8-17-12-10(20)5-6-11-13(12)19-15(22-11)18-9-4-3-7-16-14(9)21-2;1-19-9-16-13-11(19)7-8-12-14(13)18-15(20-12)17-10-5-3-2-4-6-10/h5-10H,4H2,1-3H3,(H,20,21);3-9H,1-2H3,(H,20,21);3-8H,1-2H3,(H,18,19);3-9H,1-2H3,(H,18,19);3-8H,1-2H3,(H,18,19);2-9H,1H3,(H,17,18)/q;;;+1;;
InChIKeyVAEZHYYVVIYAIO-UHFFFAOYSA-N
XLogP23.38
TPSA378.06 Ų
H-Bond Donors6
H-Bond Acceptors39
Rotatable Bonds18
Heavy Atoms138
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001944.34
LogP ≤ 523.38
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze N-(2-ethyl-4-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-nitrophenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-3-pyridinyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;6-methyl-N-(1-methylbenzimidazol-4-yl)imidazo[4,5-e][1,3]benzothiazol-2-amine;methyl-[2-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]phenyl]-oxoazanium;6-methyl-N-phenylimidazo[4,5-e][1,3]benzothiazol-2-amine with MolForge

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Related Compounds

N-(2-methoxy-4-nitrophenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine
CID 87944407
1-(2-methoxy-5-nitrophenyl)-3-(1-methylbenzimidazol-4-yl)thiourea
CID 86665418
N-(5-chloro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;hydrochloride
CID 87944343
4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzonitrile
CID 87944232
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;hydrochloride
CID 87944171
3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzamide
CID 86665499
N-(4-bromo-2-ethylphenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 81288755
N-(2,5-dimethoxyphenyl)-3-methyl-8H-pyrrolo[2,3-e]benzimidazol-7-amine
CID 123570612
5-fluoro-2-N-(2-methoxy-5-nitrophenyl)-4-N-phenylpyrimidine-2,4-diamine
CID 71014659
2-chloro-N-[(2-methoxy-3-pyridinyl)methyl]-4-nitroaniline
CID 46604120
4-(4-methoxyphenyl)-2-nitro-N-phenylaniline
CID 54070021
N-(4-methoxy-2-nitrophenyl)pyridin-4-amine
CID 121011704

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-4-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-nitrophenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-3-pyridinyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;6-methyl-N-(1-methylbenzimidazol-4-yl)imidazo[4,5-e][1,3]benzothiazol-2-amine;methyl-[2-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]phenyl]-oxoazanium;6-methyl-N-phenylimidazo[4,5-e][1,3]benzothiazol-2-amine?
The IUPAC name of N-(2-ethyl-4-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-nitrophenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-3-pyridinyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;6-methyl-N-(1-methylbenzimidazol-4-yl)imidazo[4,5-e][1,3]benzothiazol-2-amine;methyl-[2-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]phenyl]-oxoazanium;6-methyl-N-phenylimidazo[4,5-e][1,3]benzothiazol-2-amine (CID 161242548) is N-(2-ethyl-4-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-nitrophenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-3-pyridinyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;6-methyl-N-(1-methylbenzimidazol-4-yl)imidazo[4,5-e][1,3]benzothiazol-2-amine;methyl-[2-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]phenyl]-oxoazanium;6-methyl-N-phenylimidazo[4,5-e][1,3]benzothiazol-2-amine.
What is the SMILES notation for N-(2-ethyl-4-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-nitrophenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-3-pyridinyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;6-methyl-N-(1-methylbenzimidazol-4-yl)imidazo[4,5-e][1,3]benzothiazol-2-amine;methyl-[2-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]phenyl]-oxoazanium;6-methyl-N-phenylimidazo[4,5-e][1,3]benzothiazol-2-amine?
The canonical SMILES for N-(2-ethyl-4-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-nitrophenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-3-pyridinyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;6-methyl-N-(1-methylbenzimidazol-4-yl)imidazo[4,5-e][1,3]benzothiazol-2-amine;methyl-[2-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]phenyl]-oxoazanium;6-methyl-N-phenylimidazo[4,5-e][1,3]benzothiazol-2-amine is CCc1cc(OC)ccc1Nc1nc2c(ccc3c2ncn3C)s1.COc1ccc([N+](=O)[O-])cc1Nc1nc2c(ccc3c2ncn3C)s1.COc1ncccc1Nc1nc2c(ccc3c2ncn3C)s1.Cn1cnc2c(Nc3nc4c(ccc5c4ncn5C)s3)cccc21.Cn1cnc2c3nc(Nc4ccccc4)sc3ccc21.Cn1cnc2c3nc(Nc4ccccc4[N+](C)=O)sc3ccc21.
What is the InChIKey of N-(2-ethyl-4-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-nitrophenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-3-pyridinyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;6-methyl-N-(1-methylbenzimidazol-4-yl)imidazo[4,5-e][1,3]benzothiazol-2-amine;methyl-[2-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]phenyl]-oxoazanium;6-methyl-N-phenylimidazo[4,5-e][1,3]benzothiazol-2-amine?
The InChIKey is VAEZHYYVVIYAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS.C17H14N6S.C16H13N5O3S.C16H14N5OS.C15H13N5OS.C15H12N4S/c1-4-11-9-12(23-3)5-6-13(11)20-18-21-17-15(24-18)8-7-14-16(17)19-10-22(14)2;1-22-8-18-14-10(4-3-5-11(14)22)20-17-21-16-13(24-17)7-6-12-15(16)19-9-23(12)2;1-20-8-17-14-11(20)4-6-13-15(14)19-16(25-13)18-10-7-9(21(22)23)3-5-12(10)24-2;1-20-9-17-14-12(20)7-8-13-15(14)19-16(23-13)18-10-5-3-4-6-11(10)21(2)22;1-20-8-17-12-10(20)5-6-11-13(12)19-15(22-11)18-9-4-3-7-16-14(9)21-2;1-19-9-16-13-11(19)7-8-12-14(13)18-15(20-12)17-10-5-3-2-4-6-10/h5-10H,4H2,1-3H3,(H,20,21);3-9H,1-2H3,(H,20,21);3-8H,1-2H3,(H,18,19);3-9H,1-2H3,(H,18,19);3-8H,1-2H3,(H,18,19);2-9H,1H3,(H,17,18)/q;;;+1;;.
What are the key properties of N-(2-ethyl-4-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-nitrophenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-3-pyridinyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;6-methyl-N-(1-methylbenzimidazol-4-yl)imidazo[4,5-e][1,3]benzothiazol-2-amine;methyl-[2-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]phenyl]-oxoazanium;6-methyl-N-phenylimidazo[4,5-e][1,3]benzothiazol-2-amine?
N-(2-ethyl-4-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-nitrophenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-3-pyridinyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;6-methyl-N-(1-methylbenzimidazol-4-yl)imidazo[4,5-e][1,3]benzothiazol-2-amine;methyl-[2-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]phenyl]-oxoazanium;6-methyl-N-phenylimidazo[4,5-e][1,3]benzothiazol-2-amine has a molecular weight of 1944.34 g/mol, XLogP of 23.38, 18 rotatable bonds, 6 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-4-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-nitrophenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-3-pyridinyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;6-methyl-N-(1-methylbenzimidazol-4-yl)imidazo[4,5-e][1,3]benzothiazol-2-amine;methyl-[2-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]phenyl]-oxoazanium;6-methyl-N-phenylimidazo[4,5-e][1,3]benzothiazol-2-amine is sourced from PubChem (CID 161242548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).