N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;N-(2,3-dihydro-1-benzofuran-5-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;N-(3-ethylphenyl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;N-(3H-indol-5-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;N-(4-methoxyphenyl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;bis(6-(5-methoxy-3-pyridinyl)-N-(4-methylphenyl)-1,3-benzothiazol-2-amine);6-(5-methoxy-3-pyridinyl)-N-(1-prop-1-en-2-yl-2,3-dihydroindol-6-yl)-1,3-benzothiazol-2-amine;6-(5-methoxy-3-pyridinyl)-N-(3-propylphenyl)-1,3-benzothiazol-2-amine

C190H163N29O13S9 — CID 159957785

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;N-(2,3-dihydro-1-benzofuran-5-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;N-(3-ethylphenyl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;N-(3H-indol-5-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;N-(4-methoxyphenyl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;bis(6-(5-methoxy-3-pyridinyl)-N-(4-methylphenyl)-1,3-benzothiazol-2-amine);6-(5-methoxy-3-pyridinyl)-N-(1-prop-1-en-2-yl-2,3-dihydroindol-6-yl)-1,3-benzothiazol-2-amine;6-(5-methoxy-3-pyridinyl)-N-(3-propylphenyl)-1,3-benzothiazol-2-amine
SMILESC=C(C)N1CCc2ccc(Nc3nc4ccc(-c5cncc(OC)c5)cc4s3)cc21.CCCc1cccc(Nc2nc3ccc(-c4cncc(OC)c4)cc3s2)c1.CCc1cccc(Nc2nc3ccc(-c4cncc(OC)c4)cc3s2)c1.COc1ccc(Nc2nc3ccc(-c4cncc(OC)c4)cc3s2)cc1.COc1cncc(-c2ccc3nc(Nc4ccc(C)cc4)sc3c2)c1.COc1cncc(-c2ccc3nc(Nc4ccc(C)cc4)sc3c2)c1.COc1cncc(-c2ccc3nc(Nc4ccc5c(c4)CC=N5)sc3c2)c1.COc1cncc(-c2ccc3nc(Nc4ccc5c(c4)CCO5)sc3c2)c1.COc1cncc(-c2ccc3nc(Nc4ccc5c(c4)OCCO5)sc3c2)c1
InChIInChI=1S/C24H22N4OS.C22H21N3OS.C21H16N4OS.C21H17N3O3S.C21H17N3O2S.C21H19N3OS.C20H17N3O2S.2C20H17N3OS/c1-15(2)28-9-8-16-4-6-19(12-22(16)28)26-24-27-21-7-5-17(11-23(21)30-24)18-10-20(29-3)14-25-13-18;1-3-5-15-6-4-7-18(10-15)24-22-25-20-9-8-16(12-21(20)27-22)17-11-19(26-2)14-23-13-17;1-26-17-9-15(11-22-12-17)13-2-4-19-20(10-13)27-21(25-19)24-16-3-5-18-14(8-16)6-7-23-18;1-25-16-8-14(11-22-12-16)13-2-4-17-20(9-13)28-21(24-17)23-15-3-5-18-19(10-15)27-7-6-26-18;1-25-17-9-15(11-22-12-17)13-2-4-18-20(10-13)27-21(24-18)23-16-3-5-19-14(8-16)6-7-26-19;1-3-14-5-4-6-17(9-14)23-21-24-19-8-7-15(11-20(19)26-21)16-10-18(25-2)13-22-12-16;1-24-16-6-4-15(5-7-16)22-20-23-18-8-3-13(10-19(18)26-20)14-9-17(25-2)12-21-11-14;2*1-13-3-6-16(7-4-13)22-20-23-18-8-5-14(10-19(18)25-20)15-9-17(24-2)12-21-11-15/h4-7,10-14H,1,8-9H2,2-3H3,(H,26,27);4,6-14H,3,5H2,1-2H3,(H,24,25);2-5,7-12H,6H2,1H3,(H,24,25);2-5,8-12H,6-7H2,1H3,(H,23,24);2-5,8-12H,6-7H2,1H3,(H,23,24);4-13H,3H2,1-2H3,(H,23,24);3-12H,1-2H3,(H,22,23);2*3-12H,1-2H3,(H,22,23)
InChIKeyOCXYQHUOPCTQQN-UHFFFAOYSA-N
MW3349.19 g/mol
LogP49.00
Rot. Bonds41

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;N-(2,3-dihydro-1-benzofuran-5-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;N-(3-ethylphenyl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;N-(3H-indol-5-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;N-(4-methoxyphenyl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;bis(6-(5-methoxy-3-pyridinyl)-N-(4-methylphenyl)-1,3-benzothiazol-2-amine);6-(5-methoxy-3-pyridinyl)-N-(1-prop-1-en-2-yl-2,3-dihydroindol-6-yl)-1,3-benzothiazol-2-amine;6-(5-methoxy-3-pyridinyl)-N-(3-propylphenyl)-1,3-benzothiazol-2-amine

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;N-(2,3-dihydro-1-benzofuran-5-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;N-(3-ethylphenyl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;N-(3H-indol-5-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;N-(4-methoxyphenyl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;bis(6-(5-methoxy-3-pyridinyl)-N-(4-methylphenyl)-1,3-benzothiazol-2-amine);6-(5-methoxy-3-pyridinyl)-N-(1-prop-1-en-2-yl-2,3-dihydroindol-6-yl)-1,3-benzothiazol-2-amine;6-(5-methoxy-3-pyridinyl)-N-(3-propylphenyl)-1,3-benzothiazol-2-amine (PubChem CID 159957785) has the molecular formula C190H163N29O13S9 and a molecular weight of 3349.19 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;N-(2,3-dihydro-1-benzofuran-5-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;N-(3-ethylphenyl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;N-(3H-indol-5-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;N-(4-methoxyphenyl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;bis(6-(5-methoxy-3-pyridinyl)-N-(4-methylphenyl)-1,3-benzothiazol-2-amine);6-(5-methoxy-3-pyridinyl)-N-(1-prop-1-en-2-yl-2,3-dihydroindol-6-yl)-1,3-benzothiazol-2-amine;6-(5-methoxy-3-pyridinyl)-N-(3-propylphenyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;N-(2,3-dihydro-1-benzofuran-5-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;N-(3-ethylphenyl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;N-(3H-indol-5-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;N-(4-methoxyphenyl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;bis(6-(5-methoxy-3-pyridinyl)-N-(4-methylphenyl)-1,3-benzothiazol-2-amine);6-(5-methoxy-3-pyridinyl)-N-(1-prop-1-en-2-yl-2,3-dihydroindol-6-yl)-1,3-benzothiazol-2-amine;6-(5-methoxy-3-pyridinyl)-N-(3-propylphenyl)-1,3-benzothiazol-2-amine
PubChem CID159957785
Molecular FormulaC190H163N29O13S9
Molecular Weight3349.19 g/mol
Exact Mass3346.05
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;N-(2,3-dihydro-1-benzofuran-5-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;N-(3-ethylphenyl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;N-(3H-indol-5-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;N-(4-methoxyphenyl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;bis(6-(5-methoxy-3-pyridinyl)-N-(4-methylphenyl)-1,3-benzothiazol-2-amine);6-(5-methoxy-3-pyridinyl)-N-(1-prop-1-en-2-yl-2,3-dihydroindol-6-yl)-1,3-benzothiazol-2-amine;6-(5-methoxy-3-pyridinyl)-N-(3-propylphenyl)-1,3-benzothiazol-2-amine
SMILESC=C(C)N1CCc2ccc(Nc3nc4ccc(-c5cncc(OC)c5)cc4s3)cc21.CCCc1cccc(Nc2nc3ccc(-c4cncc(OC)c4)cc3s2)c1.CCc1cccc(Nc2nc3ccc(-c4cncc(OC)c4)cc3s2)c1.COc1ccc(Nc2nc3ccc(-c4cncc(OC)c4)cc3s2)cc1.COc1cncc(-c2ccc3nc(Nc4ccc(C)cc4)sc3c2)c1.COc1cncc(-c2ccc3nc(Nc4ccc(C)cc4)sc3c2)c1.COc1cncc(-c2ccc3nc(Nc4ccc5c(c4)CC=N5)sc3c2)c1.COc1cncc(-c2ccc3nc(Nc4ccc5c(c4)CCO5)sc3c2)c1.COc1cncc(-c2ccc3nc(Nc4ccc5c(c4)OCCO5)sc3c2)c1
InChIInChI=1S/C24H22N4OS.C22H21N3OS.C21H16N4OS.C21H17N3O3S.C21H17N3O2S.C21H19N3OS.C20H17N3O2S.2C20H17N3OS/c1-15(2)28-9-8-16-4-6-19(12-22(16)28)26-24-27-21-7-5-17(11-23(21)30-24)18-10-20(29-3)14-25-13-18;1-3-5-15-6-4-7-18(10-15)24-22-25-20-9-8-16(12-21(20)27-22)17-11-19(26-2)14-23-13-17;1-26-17-9-15(11-22-12-17)13-2-4-19-20(10-13)27-21(25-19)24-16-3-5-18-14(8-16)6-7-23-18;1-25-16-8-14(11-22-12-16)13-2-4-17-20(9-13)28-21(24-17)23-15-3-5-18-19(10-15)27-7-6-26-18;1-25-17-9-15(11-22-12-17)13-2-4-18-20(10-13)27-21(24-18)23-16-3-5-19-14(8-16)6-7-26-19;1-3-14-5-4-6-17(9-14)23-21-24-19-8-7-15(11-20(19)26-21)16-10-18(25-2)13-22-12-16;1-24-16-6-4-15(5-7-16)22-20-23-18-8-3-13(10-19(18)26-20)14-9-17(25-2)12-21-11-14;2*1-13-3-6-16(7-4-13)22-20-23-18-8-5-14(10-19(18)25-20)15-9-17(24-2)12-21-11-15/h4-7,10-14H,1,8-9H2,2-3H3,(H,26,27);4,6-14H,3,5H2,1-2H3,(H,24,25);2-5,7-12H,6H2,1H3,(H,24,25);2-5,8-12H,6-7H2,1H3,(H,23,24);2-5,8-12H,6-7H2,1H3,(H,23,24);4-13H,3H2,1-2H3,(H,23,24);3-12H,1-2H3,(H,22,23);2*3-12H,1-2H3,(H,22,23)
InChIKeyOCXYQHUOPCTQQN-UHFFFAOYSA-N
XLogP49.00
TPSA475.88 Ų
H-Bond Donors9
H-Bond Acceptors51
Rotatable Bonds41
Heavy Atoms241
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003349.19
LogP ≤ 549.00
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1051

Analyze N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;N-(2,3-dihydro-1-benzofuran-5-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;N-(3-ethylphenyl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;N-(3H-indol-5-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;N-(4-methoxyphenyl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;bis(6-(5-methoxy-3-pyridinyl)-N-(4-methylphenyl)-1,3-benzothiazol-2-amine);6-(5-methoxy-3-pyridinyl)-N-(1-prop-1-en-2-yl-2,3-dihydroindol-6-yl)-1,3-benzothiazol-2-amine;6-(5-methoxy-3-pyridinyl)-N-(3-propylphenyl)-1,3-benzothiazol-2-amine with MolForge

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Launch Full Analysis

Related Compounds

5-(5,6-diethoxy-3-pyridinyl)-N-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-amine;5-(6-ethoxy-5-methoxy-3-pyridinyl)-N-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-amine;methane;5-(6-methoxy-5-propan-2-yloxy-3-pyridinyl)-N-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-amine;6-(5-methoxy-3-pyridinyl)-N-[3-(1-methylpyrazol-3-yl)phenyl]-1,3-benzothiazol-2-amine;6-(5-methoxy-3-pyridinyl)-N-(6-methylpyridazin-3-yl)-1,3-benzothiazol-2-amine;6-(5-methoxy-3-pyridinyl)-N-pyrimidin-4-yl-1,3-benzothiazol-2-amine;N-(6-methylpyridazin-3-yl)-6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;5-(5-methyl-3-pyridinyl)-N-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-amine;6-(5-methyl-3-pyridinyl)-N-pyrimidin-4-yl-1,3-benzothiazol-2-amine
CID 158401516
N-[5-[[(2R)-2-(1,3-benzothiazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2S)-2-(1,3-benzothiazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;5-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenoxy]-2-methylpyridine;5-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenoxy]-2-methylpyridine;N-[5-[[(2S)-2-(2,3-dihydrofuro[3,2-b]pyridin-6-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;N-[5-[[(2R)-2-(2,3-dihydrofuro[3,2-b]pyridin-6-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 158552703
6-(5,6-dimethoxy-3-pyridinyl)-N-(6-methoxy-2-pyridinyl)-1,3-benzothiazol-2-amine;6-(5,6-dimethoxy-3-pyridinyl)-N-(6-methylpyrazin-2-yl)-1,3-benzothiazol-2-amine;6-(5,6-dimethoxy-3-pyridinyl)-N-(4-methylpyrimidin-2-yl)-1,3-benzothiazol-2-amine;6-(5,6-dimethoxy-3-pyridinyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-benzothiazol-2-amine;5-(5,6-dimethoxy-3-pyridinyl)-N-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-amine;5-(5,6-dimethoxy-3-pyridinyl)-N-pyrazin-2-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;6-(5,6-dimethoxy-3-pyridinyl)-N-pyrimidin-2-yl-1,3-benzothiazol-2-amine;5-(6-ethoxy-5-methoxy-3-pyridinyl)-N-pyrazin-2-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;6-(6-ethyl-5-methoxy-3-pyridinyl)-N-pyrazin-2-yl-1,3-benzothiazol-2-amine;5-(6-methoxy-5-propan-2-yloxy-3-pyridinyl)-N-pyrazin-2-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine
CID 158646104
N-(4-butylphenyl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;5-(5,6-diethoxy-3-pyridinyl)-N-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-amine;5-(6-ethoxy-5-methoxy-3-pyridinyl)-N-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-amine;5-(6-methoxy-5-propan-2-yloxy-3-pyridinyl)-N-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-amine;6-(5-methoxy-3-pyridinyl)-N-(4-methylphenyl)-1,3-benzothiazol-2-amine;6-(5-methoxy-3-pyridinyl)-N-phenyl-1,3-benzothiazol-2-amine;6-(5-methoxy-3-pyridinyl)-N-(4-propan-2-yloxyphenyl)-1,3-benzothiazol-2-amine;6-(5-methoxy-3-pyridinyl)-N-(4-propan-2-ylphenyl)-1,3-benzothiazol-2-amine;5-(5-methyl-3-pyridinyl)-N-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-amine
CID 160040946
4-N,4-N-diethyl-1-N-[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]benzene-1,4-diamine;2-[4-[[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]phenyl]-N-methylacetamide;N-[4-[[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]phenyl]-N-methylacetamide;1-[4-[[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]phenyl]propan-1-one;1-[4-[[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]phenyl]propan-2-one;6-(5-methoxy-3-pyridinyl)-N-(4-methylphenyl)-1,3-benzothiazol-2-amine;6-(5-methoxy-3-pyridinyl)-N-(3-propan-2-yloxyphenyl)-1,3-benzothiazol-2-amine
CID 161212309

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;N-(2,3-dihydro-1-benzofuran-5-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;N-(3-ethylphenyl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;N-(3H-indol-5-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;N-(4-methoxyphenyl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;bis(6-(5-methoxy-3-pyridinyl)-N-(4-methylphenyl)-1,3-benzothiazol-2-amine);6-(5-methoxy-3-pyridinyl)-N-(1-prop-1-en-2-yl-2,3-dihydroindol-6-yl)-1,3-benzothiazol-2-amine;6-(5-methoxy-3-pyridinyl)-N-(3-propylphenyl)-1,3-benzothiazol-2-amine?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;N-(2,3-dihydro-1-benzofuran-5-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;N-(3-ethylphenyl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;N-(3H-indol-5-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;N-(4-methoxyphenyl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;bis(6-(5-methoxy-3-pyridinyl)-N-(4-methylphenyl)-1,3-benzothiazol-2-amine);6-(5-methoxy-3-pyridinyl)-N-(1-prop-1-en-2-yl-2,3-dihydroindol-6-yl)-1,3-benzothiazol-2-amine;6-(5-methoxy-3-pyridinyl)-N-(3-propylphenyl)-1,3-benzothiazol-2-amine (CID 159957785) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;N-(2,3-dihydro-1-benzofuran-5-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;N-(3-ethylphenyl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;N-(3H-indol-5-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;N-(4-methoxyphenyl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;bis(6-(5-methoxy-3-pyridinyl)-N-(4-methylphenyl)-1,3-benzothiazol-2-amine);6-(5-methoxy-3-pyridinyl)-N-(1-prop-1-en-2-yl-2,3-dihydroindol-6-yl)-1,3-benzothiazol-2-amine;6-(5-methoxy-3-pyridinyl)-N-(3-propylphenyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;N-(2,3-dihydro-1-benzofuran-5-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;N-(3-ethylphenyl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;N-(3H-indol-5-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;N-(4-methoxyphenyl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;bis(6-(5-methoxy-3-pyridinyl)-N-(4-methylphenyl)-1,3-benzothiazol-2-amine);6-(5-methoxy-3-pyridinyl)-N-(1-prop-1-en-2-yl-2,3-dihydroindol-6-yl)-1,3-benzothiazol-2-amine;6-(5-methoxy-3-pyridinyl)-N-(3-propylphenyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;N-(2,3-dihydro-1-benzofuran-5-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;N-(3-ethylphenyl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;N-(3H-indol-5-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;N-(4-methoxyphenyl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;bis(6-(5-methoxy-3-pyridinyl)-N-(4-methylphenyl)-1,3-benzothiazol-2-amine);6-(5-methoxy-3-pyridinyl)-N-(1-prop-1-en-2-yl-2,3-dihydroindol-6-yl)-1,3-benzothiazol-2-amine;6-(5-methoxy-3-pyridinyl)-N-(3-propylphenyl)-1,3-benzothiazol-2-amine is C=C(C)N1CCc2ccc(Nc3nc4ccc(-c5cncc(OC)c5)cc4s3)cc21.CCCc1cccc(Nc2nc3ccc(-c4cncc(OC)c4)cc3s2)c1.CCc1cccc(Nc2nc3ccc(-c4cncc(OC)c4)cc3s2)c1.COc1ccc(Nc2nc3ccc(-c4cncc(OC)c4)cc3s2)cc1.COc1cncc(-c2ccc3nc(Nc4ccc(C)cc4)sc3c2)c1.COc1cncc(-c2ccc3nc(Nc4ccc(C)cc4)sc3c2)c1.COc1cncc(-c2ccc3nc(Nc4ccc5c(c4)CC=N5)sc3c2)c1.COc1cncc(-c2ccc3nc(Nc4ccc5c(c4)CCO5)sc3c2)c1.COc1cncc(-c2ccc3nc(Nc4ccc5c(c4)OCCO5)sc3c2)c1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;N-(2,3-dihydro-1-benzofuran-5-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;N-(3-ethylphenyl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;N-(3H-indol-5-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;N-(4-methoxyphenyl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;bis(6-(5-methoxy-3-pyridinyl)-N-(4-methylphenyl)-1,3-benzothiazol-2-amine);6-(5-methoxy-3-pyridinyl)-N-(1-prop-1-en-2-yl-2,3-dihydroindol-6-yl)-1,3-benzothiazol-2-amine;6-(5-methoxy-3-pyridinyl)-N-(3-propylphenyl)-1,3-benzothiazol-2-amine?
The InChIKey is OCXYQHUOPCTQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4OS.C22H21N3OS.C21H16N4OS.C21H17N3O3S.C21H17N3O2S.C21H19N3OS.C20H17N3O2S.2C20H17N3OS/c1-15(2)28-9-8-16-4-6-19(12-22(16)28)26-24-27-21-7-5-17(11-23(21)30-24)18-10-20(29-3)14-25-13-18;1-3-5-15-6-4-7-18(10-15)24-22-25-20-9-8-16(12-21(20)27-22)17-11-19(26-2)14-23-13-17;1-26-17-9-15(11-22-12-17)13-2-4-19-20(10-13)27-21(25-19)24-16-3-5-18-14(8-16)6-7-23-18;1-25-16-8-14(11-22-12-16)13-2-4-17-20(9-13)28-21(24-17)23-15-3-5-18-19(10-15)27-7-6-26-18;1-25-17-9-15(11-22-12-17)13-2-4-18-20(10-13)27-21(24-18)23-16-3-5-19-14(8-16)6-7-26-19;1-3-14-5-4-6-17(9-14)23-21-24-19-8-7-15(11-20(19)26-21)16-10-18(25-2)13-22-12-16;1-24-16-6-4-15(5-7-16)22-20-23-18-8-3-13(10-19(18)26-20)14-9-17(25-2)12-21-11-14;2*1-13-3-6-16(7-4-13)22-20-23-18-8-5-14(10-19(18)25-20)15-9-17(24-2)12-21-11-15/h4-7,10-14H,1,8-9H2,2-3H3,(H,26,27);4,6-14H,3,5H2,1-2H3,(H,24,25);2-5,7-12H,6H2,1H3,(H,24,25);2-5,8-12H,6-7H2,1H3,(H,23,24);2-5,8-12H,6-7H2,1H3,(H,23,24);4-13H,3H2,1-2H3,(H,23,24);3-12H,1-2H3,(H,22,23);2*3-12H,1-2H3,(H,22,23).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;N-(2,3-dihydro-1-benzofuran-5-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;N-(3-ethylphenyl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;N-(3H-indol-5-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;N-(4-methoxyphenyl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;bis(6-(5-methoxy-3-pyridinyl)-N-(4-methylphenyl)-1,3-benzothiazol-2-amine);6-(5-methoxy-3-pyridinyl)-N-(1-prop-1-en-2-yl-2,3-dihydroindol-6-yl)-1,3-benzothiazol-2-amine;6-(5-methoxy-3-pyridinyl)-N-(3-propylphenyl)-1,3-benzothiazol-2-amine?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;N-(2,3-dihydro-1-benzofuran-5-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;N-(3-ethylphenyl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;N-(3H-indol-5-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;N-(4-methoxyphenyl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;bis(6-(5-methoxy-3-pyridinyl)-N-(4-methylphenyl)-1,3-benzothiazol-2-amine);6-(5-methoxy-3-pyridinyl)-N-(1-prop-1-en-2-yl-2,3-dihydroindol-6-yl)-1,3-benzothiazol-2-amine;6-(5-methoxy-3-pyridinyl)-N-(3-propylphenyl)-1,3-benzothiazol-2-amine has a molecular weight of 3349.19 g/mol, XLogP of 49.00, 41 rotatable bonds, 9 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;N-(2,3-dihydro-1-benzofuran-5-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;N-(3-ethylphenyl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;N-(3H-indol-5-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;N-(4-methoxyphenyl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;bis(6-(5-methoxy-3-pyridinyl)-N-(4-methylphenyl)-1,3-benzothiazol-2-amine);6-(5-methoxy-3-pyridinyl)-N-(1-prop-1-en-2-yl-2,3-dihydroindol-6-yl)-1,3-benzothiazol-2-amine;6-(5-methoxy-3-pyridinyl)-N-(3-propylphenyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 159957785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).