4-(1,1-difluoroethoxy)-3-[(8-ethyl-7-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;3-[(7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-methoxybenzenesulfonamide;3-[(7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzenesulfonamide;8-ethyl-N-(5-fluoro-2-methoxyphenyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;8-ethyl-N-(2-methoxyphenyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine

C91H92F3N23O11S8 — CID 159433707

IUPAC4-(1,1-difluoroethoxy)-3-[(8-ethyl-7-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;3-[(7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-methoxybenzenesulfonamide;3-[(7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzenesulfonamide;8-ethyl-N-(5-fluoro-2-methoxyphenyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;8-ethyl-N-(2-methoxyphenyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine
SMILESCCn1c(C)nc2ccc3sc(Nc4cc(F)ccc4OC)nc3c21.CCn1c(C)nc2ccc3sc(Nc4cc(S(N)(=O)=O)ccc4OC(C)(F)F)nc3c21.CCn1c(C)nc2ccc3sc(Nc4ccccc4OC)nc3c21.COc1ccc(S(N)(=O)=O)cc1Nc1nc2c(ccc3nc(C)n(C)c32)s1.Cc1nc2ccc3sc(Nc4cc(S(N)(=O)=O)ccc4OC(C)C)nc3c2n1C
InChIInChI=1S/C19H19F2N5O3S2.C19H21N5O3S2.C18H17FN4OS.C18H18N4OS.C17H17N5O3S2/c1-4-26-10(2)23-12-6-8-15-16(17(12)26)25-18(30-15)24-13-9-11(31(22,27)28)5-7-14(13)29-19(3,20)21;1-10(2)27-15-7-5-12(29(20,25)26)9-14(15)22-19-23-17-16(28-19)8-6-13-18(17)24(4)11(3)21-13;1-4-23-10(2)20-12-6-8-15-16(17(12)23)22-18(25-15)21-13-9-11(19)5-7-14(13)24-3;1-4-22-11(2)19-13-9-10-15-16(17(13)22)21-18(24-15)20-12-7-5-6-8-14(12)23-3;1-9-19-11-5-7-14-15(16(11)22(9)2)21-17(26-14)20-12-8-10(27(18,23)24)4-6-13(12)25-3/h5-9H,4H2,1-3H3,(H,24,25)(H2,22,27,28);5-10H,1-4H3,(H,22,23)(H2,20,25,26);5-9H,4H2,1-3H3,(H,21,22);5-10H,4H2,1-3H3,(H,20,21);4-8H,1-3H3,(H,20,21)(H2,18,23,24)
InChIKeyLRHOSVUKETYZES-UHFFFAOYSA-N
MW1997.42 g/mol
LogP20.51
Rot. Bonds23

About 4-(1,1-difluoroethoxy)-3-[(8-ethyl-7-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;3-[(7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-methoxybenzenesulfonamide;3-[(7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzenesulfonamide;8-ethyl-N-(5-fluoro-2-methoxyphenyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;8-ethyl-N-(2-methoxyphenyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine

4-(1,1-difluoroethoxy)-3-[(8-ethyl-7-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;3-[(7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-methoxybenzenesulfonamide;3-[(7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzenesulfonamide;8-ethyl-N-(5-fluoro-2-methoxyphenyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;8-ethyl-N-(2-methoxyphenyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine (PubChem CID 159433707) has the molecular formula C91H92F3N23O11S8 and a molecular weight of 1997.42 g/mol. Its IUPAC name is 4-(1,1-difluoroethoxy)-3-[(8-ethyl-7-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;3-[(7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-methoxybenzenesulfonamide;3-[(7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzenesulfonamide;8-ethyl-N-(5-fluoro-2-methoxyphenyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;8-ethyl-N-(2-methoxyphenyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine.

Molecular Properties

Compound Name4-(1,1-difluoroethoxy)-3-[(8-ethyl-7-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;3-[(7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-methoxybenzenesulfonamide;3-[(7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzenesulfonamide;8-ethyl-N-(5-fluoro-2-methoxyphenyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;8-ethyl-N-(2-methoxyphenyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine
PubChem CID159433707
Molecular FormulaC91H92F3N23O11S8
Molecular Weight1997.42 g/mol
Exact Mass1995.51
IUPAC Name4-(1,1-difluoroethoxy)-3-[(8-ethyl-7-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;3-[(7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-methoxybenzenesulfonamide;3-[(7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzenesulfonamide;8-ethyl-N-(5-fluoro-2-methoxyphenyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;8-ethyl-N-(2-methoxyphenyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine
SMILESCCn1c(C)nc2ccc3sc(Nc4cc(F)ccc4OC)nc3c21.CCn1c(C)nc2ccc3sc(Nc4cc(S(N)(=O)=O)ccc4OC(C)(F)F)nc3c21.CCn1c(C)nc2ccc3sc(Nc4ccccc4OC)nc3c21.COc1ccc(S(N)(=O)=O)cc1Nc1nc2c(ccc3nc(C)n(C)c32)s1.Cc1nc2ccc3sc(Nc4cc(S(N)(=O)=O)ccc4OC(C)C)nc3c2n1C
InChIInChI=1S/C19H19F2N5O3S2.C19H21N5O3S2.C18H17FN4OS.C18H18N4OS.C17H17N5O3S2/c1-4-26-10(2)23-12-6-8-15-16(17(12)26)25-18(30-15)24-13-9-11(31(22,27)28)5-7-14(13)29-19(3,20)21;1-10(2)27-15-7-5-12(29(20,25)26)9-14(15)22-19-23-17-16(28-19)8-6-13-18(17)24(4)11(3)21-13;1-4-23-10(2)20-12-6-8-15-16(17(12)23)22-18(25-15)21-13-9-11(19)5-7-14(13)24-3;1-4-22-11(2)19-13-9-10-15-16(17(13)22)21-18(24-15)20-12-7-5-6-8-14(12)23-3;1-9-19-11-5-7-14-15(16(11)22(9)2)21-17(26-14)20-12-8-10(27(18,23)24)4-6-13(12)25-3/h5-9H,4H2,1-3H3,(H,24,25)(H2,22,27,28);5-10H,1-4H3,(H,22,23)(H2,20,25,26);5-9H,4H2,1-3H3,(H,21,22);5-10H,4H2,1-3H3,(H,20,21);4-8H,1-3H3,(H,20,21)(H2,18,23,24)
InChIKeyLRHOSVUKETYZES-UHFFFAOYSA-N
XLogP20.51
TPSA440.33 Ų
H-Bond Donors8
H-Bond Acceptors36
Rotatable Bonds23
Heavy Atoms136
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001997.42
LogP ≤ 520.51
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1036

Analyze 4-(1,1-difluoroethoxy)-3-[(8-ethyl-7-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;3-[(7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-methoxybenzenesulfonamide;3-[(7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzenesulfonamide;8-ethyl-N-(5-fluoro-2-methoxyphenyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;8-ethyl-N-(2-methoxyphenyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine with MolForge

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Related Compounds

3-[(6-Methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(trifluoromethoxy)benzenesulfonamide;hydrochloride
CID 87944429
3-[(6-Methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(trifluoromethoxy)benzenesulfonamide
CID 87944430
7-methyl-N-(5-methylsulfonyl-2-propan-2-yloxyphenyl)-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine
CID 87945734
3-[[7-Methyl-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide
CID 87945739
4-Propan-2-yloxy-3-[[8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-yl]amino]benzenesulfonamide
CID 87945752
N-(5-methylsulfonyl-2-propan-2-yloxyphenyl)-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine
CID 87945756
4-(1,1-Difluoroethoxy)-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide
CID 88273494
4-(1,1-Difluoroethoxy)-3-[(8-ethyl-7-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide
CID 88273526
4-(1,1-Difluoroethoxy)-3-[(7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide
CID 88273528
4-(1,1-Difluoroethoxy)-3-[(8-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide
CID 88273532
N-(2-methoxy-5-methylsulfonylphenyl)-7-methyl-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine
CID 88273534
N-(5-fluoro-2-propan-2-yloxyphenyl)-7-methyl-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine
CID 88273537

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-difluoroethoxy)-3-[(8-ethyl-7-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;3-[(7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-methoxybenzenesulfonamide;3-[(7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzenesulfonamide;8-ethyl-N-(5-fluoro-2-methoxyphenyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;8-ethyl-N-(2-methoxyphenyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine?
The IUPAC name of 4-(1,1-difluoroethoxy)-3-[(8-ethyl-7-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;3-[(7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-methoxybenzenesulfonamide;3-[(7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzenesulfonamide;8-ethyl-N-(5-fluoro-2-methoxyphenyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;8-ethyl-N-(2-methoxyphenyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine (CID 159433707) is 4-(1,1-difluoroethoxy)-3-[(8-ethyl-7-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;3-[(7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-methoxybenzenesulfonamide;3-[(7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzenesulfonamide;8-ethyl-N-(5-fluoro-2-methoxyphenyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;8-ethyl-N-(2-methoxyphenyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine.
What is the SMILES notation for 4-(1,1-difluoroethoxy)-3-[(8-ethyl-7-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;3-[(7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-methoxybenzenesulfonamide;3-[(7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzenesulfonamide;8-ethyl-N-(5-fluoro-2-methoxyphenyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;8-ethyl-N-(2-methoxyphenyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine?
The canonical SMILES for 4-(1,1-difluoroethoxy)-3-[(8-ethyl-7-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;3-[(7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-methoxybenzenesulfonamide;3-[(7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzenesulfonamide;8-ethyl-N-(5-fluoro-2-methoxyphenyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;8-ethyl-N-(2-methoxyphenyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine is CCn1c(C)nc2ccc3sc(Nc4cc(F)ccc4OC)nc3c21.CCn1c(C)nc2ccc3sc(Nc4cc(S(N)(=O)=O)ccc4OC(C)(F)F)nc3c21.CCn1c(C)nc2ccc3sc(Nc4ccccc4OC)nc3c21.COc1ccc(S(N)(=O)=O)cc1Nc1nc2c(ccc3nc(C)n(C)c32)s1.Cc1nc2ccc3sc(Nc4cc(S(N)(=O)=O)ccc4OC(C)C)nc3c2n1C.
What is the InChIKey of 4-(1,1-difluoroethoxy)-3-[(8-ethyl-7-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;3-[(7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-methoxybenzenesulfonamide;3-[(7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzenesulfonamide;8-ethyl-N-(5-fluoro-2-methoxyphenyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;8-ethyl-N-(2-methoxyphenyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine?
The InChIKey is LRHOSVUKETYZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N5O3S2.C19H21N5O3S2.C18H17FN4OS.C18H18N4OS.C17H17N5O3S2/c1-4-26-10(2)23-12-6-8-15-16(17(12)26)25-18(30-15)24-13-9-11(31(22,27)28)5-7-14(13)29-19(3,20)21;1-10(2)27-15-7-5-12(29(20,25)26)9-14(15)22-19-23-17-16(28-19)8-6-13-18(17)24(4)11(3)21-13;1-4-23-10(2)20-12-6-8-15-16(17(12)23)22-18(25-15)21-13-9-11(19)5-7-14(13)24-3;1-4-22-11(2)19-13-9-10-15-16(17(13)22)21-18(24-15)20-12-7-5-6-8-14(12)23-3;1-9-19-11-5-7-14-15(16(11)22(9)2)21-17(26-14)20-12-8-10(27(18,23)24)4-6-13(12)25-3/h5-9H,4H2,1-3H3,(H,24,25)(H2,22,27,28);5-10H,1-4H3,(H,22,23)(H2,20,25,26);5-9H,4H2,1-3H3,(H,21,22);5-10H,4H2,1-3H3,(H,20,21);4-8H,1-3H3,(H,20,21)(H2,18,23,24).
What are the key properties of 4-(1,1-difluoroethoxy)-3-[(8-ethyl-7-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;3-[(7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-methoxybenzenesulfonamide;3-[(7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzenesulfonamide;8-ethyl-N-(5-fluoro-2-methoxyphenyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;8-ethyl-N-(2-methoxyphenyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine?
4-(1,1-difluoroethoxy)-3-[(8-ethyl-7-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;3-[(7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-methoxybenzenesulfonamide;3-[(7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzenesulfonamide;8-ethyl-N-(5-fluoro-2-methoxyphenyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;8-ethyl-N-(2-methoxyphenyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine has a molecular weight of 1997.42 g/mol, XLogP of 20.51, 23 rotatable bonds, 8 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-difluoroethoxy)-3-[(8-ethyl-7-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;3-[(7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-methoxybenzenesulfonamide;3-[(7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-propan-2-yloxybenzenesulfonamide;8-ethyl-N-(5-fluoro-2-methoxyphenyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;8-ethyl-N-(2-methoxyphenyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine is sourced from PubChem (CID 159433707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).