N-(2-chlorophenyl)-5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxamide;N-(4-chloro-3-pyridinyl)-5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxamide;[(3S)-3-(dimethylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(2R)-2,4-dimethylpiperazin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3S)-3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;N-methyl-N-[(3S)-1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidin-3-yl]acetamide;N-methyl-N-[(3R)-1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidin-3-yl]acetamide;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]methanone

C151H157Cl2F27N26O22S11 — CID 159915361

IUPACN-(2-chlorophenyl)-5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxamide;N-(4-chloro-3-pyridinyl)-5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxamide;[(3S)-3-(dimethylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(2R)-2,4-dimethylpiperazin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3S)-3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;N-methyl-N-[(3S)-1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidin-3-yl]acetamide;N-methyl-N-[(3R)-1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidin-3-yl]acetamide;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]methanone
SMILESC=S(C)(=O)N[C@@H]1CCCN(C(=O)c2ccc(-c3noc(C(F)(F)F)c3C)s2)C1.C=S(C)(=O)N[C@H]1CCCN(C(=O)c2ccc(-c3noc(C(F)(F)F)c3C)s2)C1.CC(=O)N(C)[C@@H]1CCCN(C(=O)c2ccc(-c3noc(C(F)(F)F)c3C)s2)C1.CC(=O)N(C)[C@H]1CCCN(C(=O)c2ccc(-c3noc(C(F)(F)F)c3C)s2)C1.Cc1c(-c2ccc(C(=O)N3CCC[C@H](N(C)C)C3)s2)noc1C(F)(F)F.Cc1c(-c2ccc(C(=O)N3CCN(C)C[C@H]3C)s2)noc1C(F)(F)F.Cc1c(-c2ccc(C(=O)N3C[C@@H](C)N(C)[C@@H](C)C3)s2)noc1C(F)(F)F.Cc1c(-c2ccc(C(=O)Nc3ccccc3Cl)s2)noc1C(F)(F)F.Cc1c(-c2ccc(C(=O)Nc3cnccc3Cl)s2)noc1C(F)(F)F
InChIInChI=1S/2C18H20F3N3O3S.2C17H20F3N3O3S2.2C17H20F3N3O2S.C16H10ClF3N2O2S.C16H18F3N3O2S.C15H9ClF3N3O2S/c2*1-10-15(22-27-16(10)18(19,20)21)13-6-7-14(28-13)17(26)24-8-4-5-12(9-24)23(3)11(2)25;2*1-10-14(21-26-15(10)17(18,19)20)12-6-7-13(27-12)16(24)23-8-4-5-11(9-23)22-28(2,3)25;1-9-7-23(8-10(2)22(9)4)16(24)13-6-5-12(26-13)14-11(3)15(25-21-14)17(18,19)20;1-10-14(21-25-15(10)17(18,19)20)12-6-7-13(26-12)16(24)23-8-4-5-11(9-23)22(2)3;1-8-13(22-24-14(8)16(18,19)20)11-6-7-12(25-11)15(23)21-10-5-3-2-4-9(10)17;1-9-8-21(3)6-7-22(9)15(23)12-5-4-11(25-12)13-10(2)14(24-20-13)16(17,18)19;1-7-12(22-24-13(7)15(17,18)19)10-2-3-11(25-10)14(23)21-9-6-20-5-4-8(9)16/h2*6-7,12H,4-5,8-9H2,1-3H3;2*6-7,11H,2,4-5,8-9H2,1,3H3,(H,22,25);5-6,9-10H,7-8H2,1-4H3;6-7,11H,4-5,8-9H2,1-3H3;2-7H,1H3,(H,21,23);4-5,9H,6-8H2,1-3H3;2-6H,1H3,(H,21,23)/t2*12-;2*11-,28?;9-,10+;11-;;9-;/m1010.0.1./s1
InChIKeyNXSCRNYIIIBPLP-FCDGEDHTSA-N
MW3624.67 g/mol
LogP35.96
Rot. Bonds27

About N-(2-chlorophenyl)-5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxamide;N-(4-chloro-3-pyridinyl)-5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxamide;[(3S)-3-(dimethylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(2R)-2,4-dimethylpiperazin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3S)-3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;N-methyl-N-[(3S)-1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidin-3-yl]acetamide;N-methyl-N-[(3R)-1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidin-3-yl]acetamide;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]methanone

N-(2-chlorophenyl)-5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxamide;N-(4-chloro-3-pyridinyl)-5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxamide;[(3S)-3-(dimethylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(2R)-2,4-dimethylpiperazin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3S)-3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;N-methyl-N-[(3S)-1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidin-3-yl]acetamide;N-methyl-N-[(3R)-1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidin-3-yl]acetamide;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]methanone (PubChem CID 159915361) has the molecular formula C151H157Cl2F27N26O22S11 and a molecular weight of 3624.67 g/mol. Its IUPAC name is N-(2-chlorophenyl)-5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxamide;N-(4-chloro-3-pyridinyl)-5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxamide;[(3S)-3-(dimethylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(2R)-2,4-dimethylpiperazin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3S)-3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;N-methyl-N-[(3S)-1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidin-3-yl]acetamide;N-methyl-N-[(3R)-1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidin-3-yl]acetamide;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]methanone.

Molecular Properties

Compound NameN-(2-chlorophenyl)-5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxamide;N-(4-chloro-3-pyridinyl)-5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxamide;[(3S)-3-(dimethylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(2R)-2,4-dimethylpiperazin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3S)-3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;N-methyl-N-[(3S)-1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidin-3-yl]acetamide;N-methyl-N-[(3R)-1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidin-3-yl]acetamide;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]methanone
PubChem CID159915361
Molecular FormulaC151H157Cl2F27N26O22S11
Molecular Weight3624.67 g/mol
Exact Mass3620.78
IUPAC NameN-(2-chlorophenyl)-5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxamide;N-(4-chloro-3-pyridinyl)-5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxamide;[(3S)-3-(dimethylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(2R)-2,4-dimethylpiperazin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3S)-3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;N-methyl-N-[(3S)-1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidin-3-yl]acetamide;N-methyl-N-[(3R)-1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidin-3-yl]acetamide;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]methanone
SMILESC=S(C)(=O)N[C@@H]1CCCN(C(=O)c2ccc(-c3noc(C(F)(F)F)c3C)s2)C1.C=S(C)(=O)N[C@H]1CCCN(C(=O)c2ccc(-c3noc(C(F)(F)F)c3C)s2)C1.CC(=O)N(C)[C@@H]1CCCN(C(=O)c2ccc(-c3noc(C(F)(F)F)c3C)s2)C1.CC(=O)N(C)[C@H]1CCCN(C(=O)c2ccc(-c3noc(C(F)(F)F)c3C)s2)C1.Cc1c(-c2ccc(C(=O)N3CCC[C@H](N(C)C)C3)s2)noc1C(F)(F)F.Cc1c(-c2ccc(C(=O)N3CCN(C)C[C@H]3C)s2)noc1C(F)(F)F.Cc1c(-c2ccc(C(=O)N3C[C@@H](C)N(C)[C@@H](C)C3)s2)noc1C(F)(F)F.Cc1c(-c2ccc(C(=O)Nc3ccccc3Cl)s2)noc1C(F)(F)F.Cc1c(-c2ccc(C(=O)Nc3cnccc3Cl)s2)noc1C(F)(F)F
InChIInChI=1S/2C18H20F3N3O3S.2C17H20F3N3O3S2.2C17H20F3N3O2S.C16H10ClF3N2O2S.C16H18F3N3O2S.C15H9ClF3N3O2S/c2*1-10-15(22-27-16(10)18(19,20)21)13-6-7-14(28-13)17(26)24-8-4-5-12(9-24)23(3)11(2)25;2*1-10-14(21-26-15(10)17(18,19)20)12-6-7-13(27-12)16(24)23-8-4-5-11(9-23)22-28(2,3)25;1-9-7-23(8-10(2)22(9)4)16(24)13-6-5-12(26-13)14-11(3)15(25-21-14)17(18,19)20;1-10-14(21-25-15(10)17(18,19)20)12-6-7-13(26-12)16(24)23-8-4-5-11(9-23)22(2)3;1-8-13(22-24-14(8)16(18,19)20)11-6-7-12(25-11)15(23)21-10-5-3-2-4-9(10)17;1-9-8-21(3)6-7-22(9)15(23)12-5-4-11(25-12)13-10(2)14(24-20-13)16(17,18)19;1-7-12(22-24-13(7)15(17,18)19)10-2-3-11(25-10)14(23)21-9-6-20-5-4-8(9)16/h2*6-7,12H,4-5,8-9H2,1-3H3;2*6-7,11H,2,4-5,8-9H2,1,3H3,(H,22,25);5-6,9-10H,7-8H2,1-4H3;6-7,11H,4-5,8-9H2,1-3H3;2-7H,1H3,(H,21,23);4-5,9H,6-8H2,1-3H3;2-6H,1H3,(H,21,23)/t2*12-;2*11-,28?;9-,10+;11-;;9-;/m1010.0.1./s1
InChIKeyNXSCRNYIIIBPLP-FCDGEDHTSA-N
XLogP35.96
TPSA556.07 Ų
H-Bond Donors4
H-Bond Acceptors44
Rotatable Bonds27
Heavy Atoms239
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003624.67
LogP ≤ 535.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze N-(2-chlorophenyl)-5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxamide;N-(4-chloro-3-pyridinyl)-5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxamide;[(3S)-3-(dimethylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(2R)-2,4-dimethylpiperazin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3S)-3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;N-methyl-N-[(3S)-1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidin-3-yl]acetamide;N-methyl-N-[(3R)-1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidin-3-yl]acetamide;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxamide;N-(4-chloro-3-pyridinyl)-5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxamide;[(3S)-3-(dimethylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(2R)-2,4-dimethylpiperazin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3S)-3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;N-methyl-N-[(3S)-1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidin-3-yl]acetamide;N-methyl-N-[(3R)-1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidin-3-yl]acetamide;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]methanone?
The IUPAC name of N-(2-chlorophenyl)-5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxamide;N-(4-chloro-3-pyridinyl)-5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxamide;[(3S)-3-(dimethylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(2R)-2,4-dimethylpiperazin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3S)-3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;N-methyl-N-[(3S)-1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidin-3-yl]acetamide;N-methyl-N-[(3R)-1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidin-3-yl]acetamide;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]methanone (CID 159915361) is N-(2-chlorophenyl)-5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxamide;N-(4-chloro-3-pyridinyl)-5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxamide;[(3S)-3-(dimethylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(2R)-2,4-dimethylpiperazin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3S)-3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;N-methyl-N-[(3S)-1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidin-3-yl]acetamide;N-methyl-N-[(3R)-1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidin-3-yl]acetamide;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]methanone.
What is the SMILES notation for N-(2-chlorophenyl)-5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxamide;N-(4-chloro-3-pyridinyl)-5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxamide;[(3S)-3-(dimethylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(2R)-2,4-dimethylpiperazin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3S)-3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;N-methyl-N-[(3S)-1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidin-3-yl]acetamide;N-methyl-N-[(3R)-1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidin-3-yl]acetamide;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]methanone?
The canonical SMILES for N-(2-chlorophenyl)-5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxamide;N-(4-chloro-3-pyridinyl)-5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxamide;[(3S)-3-(dimethylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(2R)-2,4-dimethylpiperazin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3S)-3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;N-methyl-N-[(3S)-1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidin-3-yl]acetamide;N-methyl-N-[(3R)-1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidin-3-yl]acetamide;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]methanone is C=S(C)(=O)N[C@@H]1CCCN(C(=O)c2ccc(-c3noc(C(F)(F)F)c3C)s2)C1.C=S(C)(=O)N[C@H]1CCCN(C(=O)c2ccc(-c3noc(C(F)(F)F)c3C)s2)C1.CC(=O)N(C)[C@@H]1CCCN(C(=O)c2ccc(-c3noc(C(F)(F)F)c3C)s2)C1.CC(=O)N(C)[C@H]1CCCN(C(=O)c2ccc(-c3noc(C(F)(F)F)c3C)s2)C1.Cc1c(-c2ccc(C(=O)N3CCC[C@H](N(C)C)C3)s2)noc1C(F)(F)F.Cc1c(-c2ccc(C(=O)N3CCN(C)C[C@H]3C)s2)noc1C(F)(F)F.Cc1c(-c2ccc(C(=O)N3C[C@@H](C)N(C)[C@@H](C)C3)s2)noc1C(F)(F)F.Cc1c(-c2ccc(C(=O)Nc3ccccc3Cl)s2)noc1C(F)(F)F.Cc1c(-c2ccc(C(=O)Nc3cnccc3Cl)s2)noc1C(F)(F)F.
What is the InChIKey of N-(2-chlorophenyl)-5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxamide;N-(4-chloro-3-pyridinyl)-5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxamide;[(3S)-3-(dimethylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(2R)-2,4-dimethylpiperazin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3S)-3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;N-methyl-N-[(3S)-1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidin-3-yl]acetamide;N-methyl-N-[(3R)-1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidin-3-yl]acetamide;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]methanone?
The InChIKey is NXSCRNYIIIBPLP-FCDGEDHTSA-N. The full InChI is InChI=1S/2C18H20F3N3O3S.2C17H20F3N3O3S2.2C17H20F3N3O2S.C16H10ClF3N2O2S.C16H18F3N3O2S.C15H9ClF3N3O2S/c2*1-10-15(22-27-16(10)18(19,20)21)13-6-7-14(28-13)17(26)24-8-4-5-12(9-24)23(3)11(2)25;2*1-10-14(21-26-15(10)17(18,19)20)12-6-7-13(27-12)16(24)23-8-4-5-11(9-23)22-28(2,3)25;1-9-7-23(8-10(2)22(9)4)16(24)13-6-5-12(26-13)14-11(3)15(25-21-14)17(18,19)20;1-10-14(21-25-15(10)17(18,19)20)12-6-7-13(26-12)16(24)23-8-4-5-11(9-23)22(2)3;1-8-13(22-24-14(8)16(18,19)20)11-6-7-12(25-11)15(23)21-10-5-3-2-4-9(10)17;1-9-8-21(3)6-7-22(9)15(23)12-5-4-11(25-12)13-10(2)14(24-20-13)16(17,18)19;1-7-12(22-24-13(7)15(17,18)19)10-2-3-11(25-10)14(23)21-9-6-20-5-4-8(9)16/h2*6-7,12H,4-5,8-9H2,1-3H3;2*6-7,11H,2,4-5,8-9H2,1,3H3,(H,22,25);5-6,9-10H,7-8H2,1-4H3;6-7,11H,4-5,8-9H2,1-3H3;2-7H,1H3,(H,21,23);4-5,9H,6-8H2,1-3H3;2-6H,1H3,(H,21,23)/t2*12-;2*11-,28?;9-,10+;11-;;9-;/m1010.0.1./s1.
What are the key properties of N-(2-chlorophenyl)-5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxamide;N-(4-chloro-3-pyridinyl)-5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxamide;[(3S)-3-(dimethylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(2R)-2,4-dimethylpiperazin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3S)-3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;N-methyl-N-[(3S)-1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidin-3-yl]acetamide;N-methyl-N-[(3R)-1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidin-3-yl]acetamide;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]methanone?
N-(2-chlorophenyl)-5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxamide;N-(4-chloro-3-pyridinyl)-5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxamide;[(3S)-3-(dimethylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(2R)-2,4-dimethylpiperazin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3S)-3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;N-methyl-N-[(3S)-1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidin-3-yl]acetamide;N-methyl-N-[(3R)-1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidin-3-yl]acetamide;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]methanone has a molecular weight of 3624.67 g/mol, XLogP of 35.96, 27 rotatable bonds, 4 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxamide;N-(4-chloro-3-pyridinyl)-5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carboxamide;[(3S)-3-(dimethylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(2R)-2,4-dimethylpiperazin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3S)-3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;N-methyl-N-[(3S)-1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidin-3-yl]acetamide;N-methyl-N-[(3R)-1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidin-3-yl]acetamide;[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]methanone is sourced from PubChem (CID 159915361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).