8-ethyl-N-(5-fluoro-2-propan-2-yloxyphenyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-[5-fluoro-2-(2-methylpropyl)phenyl]-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;N-(5-fluoro-2-propan-2-yloxyphenyl)-7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(5-fluoro-2-propan-2-yloxyphenyl)-7-methyl-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-methylsulfonylphenyl)-7-methyl-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine

C98H93F13N20O6S6 — CID 161222084

IUPAC8-ethyl-N-(5-fluoro-2-propan-2-yloxyphenyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-[5-fluoro-2-(2-methylpropyl)phenyl]-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;N-(5-fluoro-2-propan-2-yloxyphenyl)-7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(5-fluoro-2-propan-2-yloxyphenyl)-7-methyl-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-methylsulfonylphenyl)-7-methyl-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine
SMILESCC(C)Cc1ccc(F)cc1Nc1nc2c(ccc3ncn(CC(F)(F)F)c32)s1.CCn1c(C)nc2ccc3sc(Nc4cc(F)ccc4OC(C)C)nc3c21.COc1ccc(S(C)(=O)=O)cc1Nc1nc2c(ccc3nc(C)n(CC(F)(F)F)c32)s1.Cc1nc2ccc3sc(Nc4cc(F)ccc4OC(C)C)nc3c2n1C.Cc1nc2ccc3sc(Nc4cc(F)ccc4OC(C)C)nc3c2n1CC(F)(F)F
InChIInChI=1S/C20H18F4N4OS.C20H18F4N4S.C20H21FN4OS.C19H17F3N4O3S2.C19H19FN4OS/c1-10(2)29-15-6-4-12(21)8-14(15)26-19-27-17-16(30-19)7-5-13-18(17)28(11(3)25-13)9-20(22,23)24;1-11(2)7-12-3-4-13(21)8-15(12)26-19-27-17-16(29-19)6-5-14-18(17)28(10-25-14)9-20(22,23)24;1-5-25-12(4)22-14-7-9-17-18(19(14)25)24-20(27-17)23-15-10-13(21)6-8-16(15)26-11(2)3;1-10-23-12-5-7-15-16(17(12)26(10)9-19(20,21)22)25-18(30-15)24-13-8-11(31(3,27)28)4-6-14(13)29-2;1-10(2)25-15-7-5-12(20)9-14(15)22-19-23-17-16(26-19)8-6-13-18(17)24(4)11(3)21-13/h4-8,10H,9H2,1-3H3,(H,26,27);3-6,8,10-11H,7,9H2,1-2H3,(H,26,27);6-11H,5H2,1-4H3,(H,23,24);4-8H,9H2,1-3H3,(H,24,25);5-10H,1-4H3,(H,22,23)
InChIKeyUXQMFWQBTLACMI-UHFFFAOYSA-N
MW2086.33 g/mol
LogP27.95
Rot. Bonds24

About 8-ethyl-N-(5-fluoro-2-propan-2-yloxyphenyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-[5-fluoro-2-(2-methylpropyl)phenyl]-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;N-(5-fluoro-2-propan-2-yloxyphenyl)-7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(5-fluoro-2-propan-2-yloxyphenyl)-7-methyl-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-methylsulfonylphenyl)-7-methyl-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine

8-ethyl-N-(5-fluoro-2-propan-2-yloxyphenyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-[5-fluoro-2-(2-methylpropyl)phenyl]-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;N-(5-fluoro-2-propan-2-yloxyphenyl)-7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(5-fluoro-2-propan-2-yloxyphenyl)-7-methyl-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-methylsulfonylphenyl)-7-methyl-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine (PubChem CID 161222084) has the molecular formula C98H93F13N20O6S6 and a molecular weight of 2086.33 g/mol. Its IUPAC name is 8-ethyl-N-(5-fluoro-2-propan-2-yloxyphenyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-[5-fluoro-2-(2-methylpropyl)phenyl]-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;N-(5-fluoro-2-propan-2-yloxyphenyl)-7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(5-fluoro-2-propan-2-yloxyphenyl)-7-methyl-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-methylsulfonylphenyl)-7-methyl-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine.

Molecular Properties

Compound Name8-ethyl-N-(5-fluoro-2-propan-2-yloxyphenyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-[5-fluoro-2-(2-methylpropyl)phenyl]-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;N-(5-fluoro-2-propan-2-yloxyphenyl)-7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(5-fluoro-2-propan-2-yloxyphenyl)-7-methyl-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-methylsulfonylphenyl)-7-methyl-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine
PubChem CID161222084
Molecular FormulaC98H93F13N20O6S6
Molecular Weight2086.33 g/mol
Exact Mass2084.57
IUPAC Name8-ethyl-N-(5-fluoro-2-propan-2-yloxyphenyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-[5-fluoro-2-(2-methylpropyl)phenyl]-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;N-(5-fluoro-2-propan-2-yloxyphenyl)-7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(5-fluoro-2-propan-2-yloxyphenyl)-7-methyl-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-methylsulfonylphenyl)-7-methyl-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine
SMILESCC(C)Cc1ccc(F)cc1Nc1nc2c(ccc3ncn(CC(F)(F)F)c32)s1.CCn1c(C)nc2ccc3sc(Nc4cc(F)ccc4OC(C)C)nc3c21.COc1ccc(S(C)(=O)=O)cc1Nc1nc2c(ccc3nc(C)n(CC(F)(F)F)c32)s1.Cc1nc2ccc3sc(Nc4cc(F)ccc4OC(C)C)nc3c2n1C.Cc1nc2ccc3sc(Nc4cc(F)ccc4OC(C)C)nc3c2n1CC(F)(F)F
InChIInChI=1S/C20H18F4N4OS.C20H18F4N4S.C20H21FN4OS.C19H17F3N4O3S2.C19H19FN4OS/c1-10(2)29-15-6-4-12(21)8-14(15)26-19-27-17-16(30-19)7-5-13-18(17)28(11(3)25-13)9-20(22,23)24;1-11(2)7-12-3-4-13(21)8-15(12)26-19-27-17-16(29-19)6-5-14-18(17)28(10-25-14)9-20(22,23)24;1-5-25-12(4)22-14-7-9-17-18(19(14)25)24-20(27-17)23-15-10-13(21)6-8-16(15)26-11(2)3;1-10-23-12-5-7-15-16(17(12)26(10)9-19(20,21)22)25-18(30-15)24-13-8-11(31(3,27)28)4-6-14(13)29-2;1-10(2)25-15-7-5-12(20)9-14(15)22-19-23-17-16(26-19)8-6-13-18(17)24(4)11(3)21-13/h4-8,10H,9H2,1-3H3,(H,26,27);3-6,8,10-11H,7,9H2,1-2H3,(H,26,27);6-11H,5H2,1-4H3,(H,23,24);4-8H,9H2,1-3H3,(H,24,25);5-10H,1-4H3,(H,22,23)
InChIKeyUXQMFWQBTLACMI-UHFFFAOYSA-N
XLogP27.95
TPSA284.76 Ų
H-Bond Donors5
H-Bond Acceptors31
Rotatable Bonds24
Heavy Atoms143
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002086.33
LogP ≤ 527.95
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1031

Analyze 8-ethyl-N-(5-fluoro-2-propan-2-yloxyphenyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-[5-fluoro-2-(2-methylpropyl)phenyl]-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;N-(5-fluoro-2-propan-2-yloxyphenyl)-7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(5-fluoro-2-propan-2-yloxyphenyl)-7-methyl-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-methylsulfonylphenyl)-7-methyl-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine with MolForge

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Related Compounds

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
3-[[8-(2,2-Difluorobut-3-enyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide
CID 123892521
4-(1,1-difluoroethoxy)-3-[(7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;4-(1,1-difluoroethoxy)-3-[(8-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;N-(5-fluoro-2-methoxyphenyl)-7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(5-fluoro-2-methoxyphenyl)-8-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxyphenyl)-7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-amine
CID 157656849
N-(2-methoxy-5-methylsulfonylphenyl)-7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-methylsulfonylphenyl)-8-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-methylsulfonylphenyl)-7-methyl-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;4-(2-methylpropyl)-3-[[8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-yl]amino]benzenesulfonamide;3-[[7-methyl-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-yl]amino]-4-propan-2-yloxybenzenesulfonamide
CID 158901616
4-(1,1-difluoroethoxy)-3-[(8-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;3-[(8-ethyl-7-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-methoxybenzenesulfonamide;N-(5-fluoro-2-methoxyphenyl)-8-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-3-[(8-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzenesulfonamide;N-(2-methoxyphenyl)-8-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;3-[(8-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]-4-(2-methylpropyl)benzenesulfonamide
CID 159292222
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
7,8-dimethyl-N-(5-methylsulfonyl-2-propan-2-yloxyphenyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;8-ethyl-7-methyl-N-(5-methylsulfonyl-2-propan-2-yloxyphenyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;6-methyl-N-[2-(2-methylpropyl)-5-methylsulfonylphenyl]imidazo[4,5-e][1,3]benzothiazol-2-amine;7-methyl-N-(5-methylsulfonyl-2-propan-2-yloxyphenyl)-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;N-[2-(2-methylpropyl)-5-methylsulfonylphenyl]-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine
CID 159503801
8-ethyl-N-(5-fluoro-2-propan-2-yloxyphenyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;8-ethyl-7-methyl-N-(5-methylsulfonyl-2-propan-2-yloxyphenyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;N-[5-fluoro-2-(2-methylpropyl)phenyl]-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;N-(5-fluoro-2-propan-2-yloxyphenyl)-7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(5-fluoro-2-propan-2-yloxyphenyl)-7-methyl-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine
CID 159727014
7,8-dimethyl-N-(5-methylsulfonyl-2-propan-2-yloxyphenyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;N-(4-methoxy-3-pyridinyl)-7-methyl-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;6-methyl-N-[2-(2-methylpropyl)-5-methylsulfonylphenyl]imidazo[4,5-e][1,3]benzothiazol-2-amine;7-methyl-N-(5-methylsulfonyl-2-propan-2-yloxyphenyl)-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;N-[2-(2-methylpropyl)-5-methylsulfonylphenyl]-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine
CID 160019027

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-N-(5-fluoro-2-propan-2-yloxyphenyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-[5-fluoro-2-(2-methylpropyl)phenyl]-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;N-(5-fluoro-2-propan-2-yloxyphenyl)-7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(5-fluoro-2-propan-2-yloxyphenyl)-7-methyl-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-methylsulfonylphenyl)-7-methyl-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine?
The IUPAC name of 8-ethyl-N-(5-fluoro-2-propan-2-yloxyphenyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-[5-fluoro-2-(2-methylpropyl)phenyl]-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;N-(5-fluoro-2-propan-2-yloxyphenyl)-7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(5-fluoro-2-propan-2-yloxyphenyl)-7-methyl-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-methylsulfonylphenyl)-7-methyl-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine (CID 161222084) is 8-ethyl-N-(5-fluoro-2-propan-2-yloxyphenyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-[5-fluoro-2-(2-methylpropyl)phenyl]-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;N-(5-fluoro-2-propan-2-yloxyphenyl)-7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(5-fluoro-2-propan-2-yloxyphenyl)-7-methyl-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-methylsulfonylphenyl)-7-methyl-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine.
What is the SMILES notation for 8-ethyl-N-(5-fluoro-2-propan-2-yloxyphenyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-[5-fluoro-2-(2-methylpropyl)phenyl]-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;N-(5-fluoro-2-propan-2-yloxyphenyl)-7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(5-fluoro-2-propan-2-yloxyphenyl)-7-methyl-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-methylsulfonylphenyl)-7-methyl-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine?
The canonical SMILES for 8-ethyl-N-(5-fluoro-2-propan-2-yloxyphenyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-[5-fluoro-2-(2-methylpropyl)phenyl]-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;N-(5-fluoro-2-propan-2-yloxyphenyl)-7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(5-fluoro-2-propan-2-yloxyphenyl)-7-methyl-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-methylsulfonylphenyl)-7-methyl-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine is CC(C)Cc1ccc(F)cc1Nc1nc2c(ccc3ncn(CC(F)(F)F)c32)s1.CCn1c(C)nc2ccc3sc(Nc4cc(F)ccc4OC(C)C)nc3c21.COc1ccc(S(C)(=O)=O)cc1Nc1nc2c(ccc3nc(C)n(CC(F)(F)F)c32)s1.Cc1nc2ccc3sc(Nc4cc(F)ccc4OC(C)C)nc3c2n1C.Cc1nc2ccc3sc(Nc4cc(F)ccc4OC(C)C)nc3c2n1CC(F)(F)F.
What is the InChIKey of 8-ethyl-N-(5-fluoro-2-propan-2-yloxyphenyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-[5-fluoro-2-(2-methylpropyl)phenyl]-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;N-(5-fluoro-2-propan-2-yloxyphenyl)-7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(5-fluoro-2-propan-2-yloxyphenyl)-7-methyl-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-methylsulfonylphenyl)-7-methyl-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine?
The InChIKey is UXQMFWQBTLACMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F4N4OS.C20H18F4N4S.C20H21FN4OS.C19H17F3N4O3S2.C19H19FN4OS/c1-10(2)29-15-6-4-12(21)8-14(15)26-19-27-17-16(30-19)7-5-13-18(17)28(11(3)25-13)9-20(22,23)24;1-11(2)7-12-3-4-13(21)8-15(12)26-19-27-17-16(29-19)6-5-14-18(17)28(10-25-14)9-20(22,23)24;1-5-25-12(4)22-14-7-9-17-18(19(14)25)24-20(27-17)23-15-10-13(21)6-8-16(15)26-11(2)3;1-10-23-12-5-7-15-16(17(12)26(10)9-19(20,21)22)25-18(30-15)24-13-8-11(31(3,27)28)4-6-14(13)29-2;1-10(2)25-15-7-5-12(20)9-14(15)22-19-23-17-16(26-19)8-6-13-18(17)24(4)11(3)21-13/h4-8,10H,9H2,1-3H3,(H,26,27);3-6,8,10-11H,7,9H2,1-2H3,(H,26,27);6-11H,5H2,1-4H3,(H,23,24);4-8H,9H2,1-3H3,(H,24,25);5-10H,1-4H3,(H,22,23).
What are the key properties of 8-ethyl-N-(5-fluoro-2-propan-2-yloxyphenyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-[5-fluoro-2-(2-methylpropyl)phenyl]-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;N-(5-fluoro-2-propan-2-yloxyphenyl)-7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(5-fluoro-2-propan-2-yloxyphenyl)-7-methyl-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-methylsulfonylphenyl)-7-methyl-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine?
8-ethyl-N-(5-fluoro-2-propan-2-yloxyphenyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-[5-fluoro-2-(2-methylpropyl)phenyl]-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;N-(5-fluoro-2-propan-2-yloxyphenyl)-7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(5-fluoro-2-propan-2-yloxyphenyl)-7-methyl-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-methylsulfonylphenyl)-7-methyl-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine has a molecular weight of 2086.33 g/mol, XLogP of 27.95, 24 rotatable bonds, 5 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-N-(5-fluoro-2-propan-2-yloxyphenyl)-7-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-[5-fluoro-2-(2-methylpropyl)phenyl]-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;N-(5-fluoro-2-propan-2-yloxyphenyl)-7,8-dimethylimidazo[4,5-e][1,3]benzothiazol-2-amine;N-(5-fluoro-2-propan-2-yloxyphenyl)-7-methyl-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxy-5-methylsulfonylphenyl)-7-methyl-8-(2,2,2-trifluoroethyl)imidazo[4,5-e][1,3]benzothiazol-2-amine is sourced from PubChem (CID 161222084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).