2-(4-bromo-2-methylphenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(3,4-difluorophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;3-(2,3-difluorophenyl)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(2-fluorophenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(4-isocyanophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(3-methylphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(4-methylphenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(4-methylphenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide

C154H171BrF5N17O11S12 — CID 167567208

IUPAC2-(4-bromo-2-methylphenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(3,4-difluorophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;3-(2,3-difluorophenyl)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(2-fluorophenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(4-isocyanophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(3-methylphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(4-methylphenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(4-methylphenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
SMILESC=CCN(C(=O)C(C)Oc1ccc(F)c(F)c1)c1nc2c(s1)CCCC2.C=CCN(C(=O)C(C)Oc1cccc(C)c1)c1nc2c(s1)CCCC2.C=CCN(C(=O)C(C)Sc1ccc(C)cc1)c1nc2c(s1)CCCC2.C=CCN(C(=O)CCc1cccc(F)c1F)c1nc2c(s1)CCCC2.C=CCN(C(=O)CSc1ccc(Br)cc1C)c1nc2c(s1)CCCC2.C=CCN(C(=O)CSc1ccc(C)cc1)c1nc2c(s1)CCCC2.C=CCN(C(=O)CSc1ccccc1F)c1nc2c(s1)CCCC2.[C-]#[N+]c1ccc(OC(C)C(=O)N(CC=C)c2nc3c(s2)CCCC3)cc1
InChIInChI=1S/C20H21N3O2S.C20H24N2O2S.C20H24N2OS2.C19H21BrN2OS2.C19H20F2N2O2S.C19H20F2N2OS.C19H22N2OS2.C18H19FN2OS2/c1-4-13-23(20-22-17-7-5-6-8-18(17)26-20)19(24)14(2)25-16-11-9-15(21-3)10-12-16;1-4-12-22(20-21-17-10-5-6-11-18(17)25-20)19(23)15(3)24-16-9-7-8-14(2)13-16;1-4-13-22(20-21-17-7-5-6-8-18(17)25-20)19(23)15(3)24-16-11-9-14(2)10-12-16;1-3-10-22(19-21-15-6-4-5-7-17(15)25-19)18(23)12-24-16-9-8-14(20)11-13(16)2;1-3-10-23(19-22-16-6-4-5-7-17(16)26-19)18(24)12(2)25-13-8-9-14(20)15(21)11-13;1-2-12-23(19-22-15-8-3-4-9-16(15)25-19)17(24)11-10-13-6-5-7-14(20)18(13)21;1-3-12-21(19-20-16-6-4-5-7-17(16)24-19)18(22)13-23-15-10-8-14(2)9-11-15;1-2-11-21(18-20-14-8-4-6-10-16(14)24-18)17(22)12-23-15-9-5-3-7-13(15)19/h4,9-12,14H,1,5-8,13H2,2H3;4,7-9,13,15H,1,5-6,10-12H2,2-3H3;4,9-12,15H,1,5-8,13H2,2-3H3;3,8-9,11H,1,4-7,10,12H2,2H3;3,8-9,11-12H,1,4-7,10H2,2H3;2,5-7H,1,3-4,8-12H2;3,8-11H,1,4-7,12-13H2,2H3;2-3,5,7,9H,1,4,6,8,10-12H2
InChIKeyFLBQFIVSYWWGQV-UHFFFAOYSA-N
MW2995.87 g/mol
LogP37.16
Rot. Bonds48

About 2-(4-bromo-2-methylphenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(3,4-difluorophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;3-(2,3-difluorophenyl)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(2-fluorophenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(4-isocyanophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(3-methylphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(4-methylphenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(4-methylphenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide

2-(4-bromo-2-methylphenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(3,4-difluorophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;3-(2,3-difluorophenyl)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(2-fluorophenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(4-isocyanophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(3-methylphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(4-methylphenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(4-methylphenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide (PubChem CID 167567208) has the molecular formula C154H171BrF5N17O11S12 and a molecular weight of 2995.87 g/mol. Its IUPAC name is 2-(4-bromo-2-methylphenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(3,4-difluorophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;3-(2,3-difluorophenyl)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(2-fluorophenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(4-isocyanophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(3-methylphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(4-methylphenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(4-methylphenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(4-bromo-2-methylphenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(3,4-difluorophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;3-(2,3-difluorophenyl)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(2-fluorophenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(4-isocyanophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(3-methylphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(4-methylphenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(4-methylphenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
PubChem CID167567208
Molecular FormulaC154H171BrF5N17O11S12
Molecular Weight2995.87 g/mol
Exact Mass2991.91
IUPAC Name2-(4-bromo-2-methylphenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(3,4-difluorophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;3-(2,3-difluorophenyl)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(2-fluorophenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(4-isocyanophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(3-methylphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(4-methylphenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(4-methylphenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
SMILESC=CCN(C(=O)C(C)Oc1ccc(F)c(F)c1)c1nc2c(s1)CCCC2.C=CCN(C(=O)C(C)Oc1cccc(C)c1)c1nc2c(s1)CCCC2.C=CCN(C(=O)C(C)Sc1ccc(C)cc1)c1nc2c(s1)CCCC2.C=CCN(C(=O)CCc1cccc(F)c1F)c1nc2c(s1)CCCC2.C=CCN(C(=O)CSc1ccc(Br)cc1C)c1nc2c(s1)CCCC2.C=CCN(C(=O)CSc1ccc(C)cc1)c1nc2c(s1)CCCC2.C=CCN(C(=O)CSc1ccccc1F)c1nc2c(s1)CCCC2.[C-]#[N+]c1ccc(OC(C)C(=O)N(CC=C)c2nc3c(s2)CCCC3)cc1
InChIInChI=1S/C20H21N3O2S.C20H24N2O2S.C20H24N2OS2.C19H21BrN2OS2.C19H20F2N2O2S.C19H20F2N2OS.C19H22N2OS2.C18H19FN2OS2/c1-4-13-23(20-22-17-7-5-6-8-18(17)26-20)19(24)14(2)25-16-11-9-15(21-3)10-12-16;1-4-12-22(20-21-17-10-5-6-11-18(17)25-20)19(23)15(3)24-16-9-7-8-14(2)13-16;1-4-13-22(20-21-17-7-5-6-8-18(17)25-20)19(23)15(3)24-16-11-9-14(2)10-12-16;1-3-10-22(19-21-15-6-4-5-7-17(15)25-19)18(23)12-24-16-9-8-14(20)11-13(16)2;1-3-10-23(19-22-16-6-4-5-7-17(16)26-19)18(24)12(2)25-13-8-9-14(20)15(21)11-13;1-2-12-23(19-22-15-8-3-4-9-16(15)25-19)17(24)11-10-13-6-5-7-14(20)18(13)21;1-3-12-21(19-20-16-6-4-5-7-17(16)24-19)18(22)13-23-15-10-8-14(2)9-11-15;1-2-11-21(18-20-14-8-4-6-10-16(14)24-18)17(22)12-23-15-9-5-3-7-13(15)19/h4,9-12,14H,1,5-8,13H2,2H3;4,7-9,13,15H,1,5-6,10-12H2,2-3H3;4,9-12,15H,1,5-8,13H2,2-3H3;3,8-9,11H,1,4-7,10,12H2,2H3;3,8-9,11-12H,1,4-7,10H2,2H3;2,5-7H,1,3-4,8-12H2;3,8-11H,1,4-7,12-13H2,2H3;2-3,5,7,9H,1,4,6,8,10-12H2
InChIKeyFLBQFIVSYWWGQV-UHFFFAOYSA-N
XLogP37.16
TPSA297.65 Ų
H-Bond Donors
H-Bond Acceptors31
Rotatable Bonds48
Heavy Atoms200
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002995.87
LogP ≤ 537.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(4-bromo-2-methylphenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(3,4-difluorophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;3-(2,3-difluorophenyl)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(2-fluorophenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(4-isocyanophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(3-methylphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(4-methylphenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(4-methylphenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide with MolForge

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Related Compounds

2-(3-bromothiophen-2-yl)-N-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(2-ethoxyphenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(3-fluorothiophen-2-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(2-methoxyphenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(2-methoxyphenyl)-N-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;N-methyl-2-(4-methylthiophen-2-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide
CID 160535816
2-(2-cyanophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(2,4-dibromophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(3,4-difluorophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(2-fluorophenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(4-isocyanophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(3-methylphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 167590708
2-(4-bromo-2-methylphenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(2-cyanophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(3,4-difluorophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(2-fluorophenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(4-isocyanophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(3-methylphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(4-methylphenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 167591589
2-(2-cyanophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(4-cyanophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(2,4-dibromophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(3,4-difluorophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(2-fluorophenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(3-methylphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 167709266

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylphenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(3,4-difluorophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;3-(2,3-difluorophenyl)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(2-fluorophenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(4-isocyanophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(3-methylphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(4-methylphenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(4-methylphenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide?
The IUPAC name of 2-(4-bromo-2-methylphenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(3,4-difluorophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;3-(2,3-difluorophenyl)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(2-fluorophenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(4-isocyanophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(3-methylphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(4-methylphenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(4-methylphenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide (CID 167567208) is 2-(4-bromo-2-methylphenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(3,4-difluorophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;3-(2,3-difluorophenyl)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(2-fluorophenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(4-isocyanophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(3-methylphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(4-methylphenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(4-methylphenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide.
What is the SMILES notation for 2-(4-bromo-2-methylphenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(3,4-difluorophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;3-(2,3-difluorophenyl)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(2-fluorophenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(4-isocyanophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(3-methylphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(4-methylphenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(4-methylphenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide?
The canonical SMILES for 2-(4-bromo-2-methylphenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(3,4-difluorophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;3-(2,3-difluorophenyl)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(2-fluorophenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(4-isocyanophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(3-methylphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(4-methylphenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(4-methylphenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide is C=CCN(C(=O)C(C)Oc1ccc(F)c(F)c1)c1nc2c(s1)CCCC2.C=CCN(C(=O)C(C)Oc1cccc(C)c1)c1nc2c(s1)CCCC2.C=CCN(C(=O)C(C)Sc1ccc(C)cc1)c1nc2c(s1)CCCC2.C=CCN(C(=O)CCc1cccc(F)c1F)c1nc2c(s1)CCCC2.C=CCN(C(=O)CSc1ccc(Br)cc1C)c1nc2c(s1)CCCC2.C=CCN(C(=O)CSc1ccc(C)cc1)c1nc2c(s1)CCCC2.C=CCN(C(=O)CSc1ccccc1F)c1nc2c(s1)CCCC2.[C-]#[N+]c1ccc(OC(C)C(=O)N(CC=C)c2nc3c(s2)CCCC3)cc1.
What is the InChIKey of 2-(4-bromo-2-methylphenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(3,4-difluorophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;3-(2,3-difluorophenyl)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(2-fluorophenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(4-isocyanophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(3-methylphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(4-methylphenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(4-methylphenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide?
The InChIKey is FLBQFIVSYWWGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S.C20H24N2O2S.C20H24N2OS2.C19H21BrN2OS2.C19H20F2N2O2S.C19H20F2N2OS.C19H22N2OS2.C18H19FN2OS2/c1-4-13-23(20-22-17-7-5-6-8-18(17)26-20)19(24)14(2)25-16-11-9-15(21-3)10-12-16;1-4-12-22(20-21-17-10-5-6-11-18(17)25-20)19(23)15(3)24-16-9-7-8-14(2)13-16;1-4-13-22(20-21-17-7-5-6-8-18(17)25-20)19(23)15(3)24-16-11-9-14(2)10-12-16;1-3-10-22(19-21-15-6-4-5-7-17(15)25-19)18(23)12-24-16-9-8-14(20)11-13(16)2;1-3-10-23(19-22-16-6-4-5-7-17(16)26-19)18(24)12(2)25-13-8-9-14(20)15(21)11-13;1-2-12-23(19-22-15-8-3-4-9-16(15)25-19)17(24)11-10-13-6-5-7-14(20)18(13)21;1-3-12-21(19-20-16-6-4-5-7-17(16)24-19)18(22)13-23-15-10-8-14(2)9-11-15;1-2-11-21(18-20-14-8-4-6-10-16(14)24-18)17(22)12-23-15-9-5-3-7-13(15)19/h4,9-12,14H,1,5-8,13H2,2H3;4,7-9,13,15H,1,5-6,10-12H2,2-3H3;4,9-12,15H,1,5-8,13H2,2-3H3;3,8-9,11H,1,4-7,10,12H2,2H3;3,8-9,11-12H,1,4-7,10H2,2H3;2,5-7H,1,3-4,8-12H2;3,8-11H,1,4-7,12-13H2,2H3;2-3,5,7,9H,1,4,6,8,10-12H2.
What are the key properties of 2-(4-bromo-2-methylphenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(3,4-difluorophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;3-(2,3-difluorophenyl)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(2-fluorophenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(4-isocyanophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(3-methylphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(4-methylphenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(4-methylphenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide?
2-(4-bromo-2-methylphenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(3,4-difluorophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;3-(2,3-difluorophenyl)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(2-fluorophenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(4-isocyanophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(3-methylphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(4-methylphenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(4-methylphenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide has a molecular weight of 2995.87 g/mol, XLogP of 37.16, 48 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methylphenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(3,4-difluorophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;3-(2,3-difluorophenyl)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(2-fluorophenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(4-isocyanophenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(3-methylphenoxy)-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;2-(4-methylphenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide;2-(4-methylphenyl)sulfanyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide is sourced from PubChem (CID 167567208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).