(4-bromophenyl)methanamine;N-[(4-bromophenyl)methyl]-6-ethylimidazo[2,1-b][1,3]thiazole-5-carboxamide;6-ethyl-N-[[4-[6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide;6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane

C56H57Br2F6N11O4S3 — CID 158763875

IUPAC(4-bromophenyl)methanamine;N-[(4-bromophenyl)methyl]-6-ethylimidazo[2,1-b][1,3]thiazole-5-carboxamide;6-ethyl-N-[[4-[6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide;6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane
SMILESCCc1nc2sccn2c1C(=O)NCc1ccc(Br)cc1.CCc1nc2sccn2c1C(=O)NCc1ccc(N2CC3C(C2)C3C(F)(F)F)cc1.Cc1nc2sccn2c1C(=O)O.FC(F)(F)C1C2CNCC21.NCc1ccc(Br)cc1
InChIInChI=1S/C21H21F3N4OS.C15H14BrN3OS.C7H8BrN.C7H6N2O2S.C6H8F3N/c1-2-16-18(28-7-8-30-20(28)26-16)19(29)25-9-12-3-5-13(6-4-12)27-10-14-15(11-27)17(14)21(22,23)24;1-2-12-13(19-7-8-21-15(19)18-12)14(20)17-9-10-3-5-11(16)6-4-10;8-7-3-1-6(5-9)2-4-7;1-4-5(6(10)11)9-2-3-12-7(9)8-4;7-6(8,9)5-3-1-10-2-4(3)5/h3-8,14-15,17H,2,9-11H2,1H3,(H,25,29);3-8H,2,9H2,1H3,(H,17,20);1-4H,5,9H2;2-3H,1H3,(H,10,11);3-5,10H,1-2H2
InChIKeyIOZYNQIEXOWLSI-UHFFFAOYSA-N
MW1318.14 g/mol
LogP12.11
Rot. Bonds11

About (4-bromophenyl)methanamine;N-[(4-bromophenyl)methyl]-6-ethylimidazo[2,1-b][1,3]thiazole-5-carboxamide;6-ethyl-N-[[4-[6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide;6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane

(4-bromophenyl)methanamine;N-[(4-bromophenyl)methyl]-6-ethylimidazo[2,1-b][1,3]thiazole-5-carboxamide;6-ethyl-N-[[4-[6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide;6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane (PubChem CID 158763875) has the molecular formula C56H57Br2F6N11O4S3 and a molecular weight of 1318.14 g/mol. Its IUPAC name is (4-bromophenyl)methanamine;N-[(4-bromophenyl)methyl]-6-ethylimidazo[2,1-b][1,3]thiazole-5-carboxamide;6-ethyl-N-[[4-[6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide;6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(4-bromophenyl)methanamine;N-[(4-bromophenyl)methyl]-6-ethylimidazo[2,1-b][1,3]thiazole-5-carboxamide;6-ethyl-N-[[4-[6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide;6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane
PubChem CID158763875
Molecular FormulaC56H57Br2F6N11O4S3
Molecular Weight1318.14 g/mol
Exact Mass1315.20
IUPAC Name(4-bromophenyl)methanamine;N-[(4-bromophenyl)methyl]-6-ethylimidazo[2,1-b][1,3]thiazole-5-carboxamide;6-ethyl-N-[[4-[6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide;6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane
SMILESCCc1nc2sccn2c1C(=O)NCc1ccc(Br)cc1.CCc1nc2sccn2c1C(=O)NCc1ccc(N2CC3C(C2)C3C(F)(F)F)cc1.Cc1nc2sccn2c1C(=O)O.FC(F)(F)C1C2CNCC21.NCc1ccc(Br)cc1
InChIInChI=1S/C21H21F3N4OS.C15H14BrN3OS.C7H8BrN.C7H6N2O2S.C6H8F3N/c1-2-16-18(28-7-8-30-20(28)26-16)19(29)25-9-12-3-5-13(6-4-12)27-10-14-15(11-27)17(14)21(22,23)24;1-2-12-13(19-7-8-21-15(19)18-12)14(20)17-9-10-3-5-11(16)6-4-10;8-7-3-1-6(5-9)2-4-7;1-4-5(6(10)11)9-2-3-12-7(9)8-4;7-6(8,9)5-3-1-10-2-4(3)5/h3-8,14-15,17H,2,9-11H2,1H3,(H,25,29);3-8H,2,9H2,1H3,(H,17,20);1-4H,5,9H2;2-3H,1H3,(H,10,11);3-5,10H,1-2H2
InChIKeyIOZYNQIEXOWLSI-UHFFFAOYSA-N
XLogP12.11
TPSA188.69 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds11
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001318.14
LogP ≤ 512.11
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze (4-bromophenyl)methanamine;N-[(4-bromophenyl)methyl]-6-ethylimidazo[2,1-b][1,3]thiazole-5-carboxamide;6-ethyl-N-[[4-[6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide;6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane with MolForge

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Related Compounds

6-ethyl-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;6-ethyl-2-methyl-N-[[4-[6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide;1-fluoro-4-isocyanobenzene;3-(4-isocyanophenyl)-6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane;[4-[6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]methanamine
CID 158441415
deuterium monohydride;methane;N-[[(2S,3R)-3-methylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine;[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methanone;6-phenylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 167548372
6-ethyl-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;6-ethyl-2-methyl-N-[[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide;methane;[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride
CID 167673127
6-ethyl-N-[[4-(5-fluoro-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)phenyl]methyl]-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide;6-ethyl-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;[4-(5-fluoro-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)phenyl]methanamine;5-fluoro-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;1-fluoro-4-isocyanobenzene;5-fluoro-2-(4-isocyanophenyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 158363566

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)methanamine;N-[(4-bromophenyl)methyl]-6-ethylimidazo[2,1-b][1,3]thiazole-5-carboxamide;6-ethyl-N-[[4-[6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide;6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane?
The IUPAC name of (4-bromophenyl)methanamine;N-[(4-bromophenyl)methyl]-6-ethylimidazo[2,1-b][1,3]thiazole-5-carboxamide;6-ethyl-N-[[4-[6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide;6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane (CID 158763875) is (4-bromophenyl)methanamine;N-[(4-bromophenyl)methyl]-6-ethylimidazo[2,1-b][1,3]thiazole-5-carboxamide;6-ethyl-N-[[4-[6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide;6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for (4-bromophenyl)methanamine;N-[(4-bromophenyl)methyl]-6-ethylimidazo[2,1-b][1,3]thiazole-5-carboxamide;6-ethyl-N-[[4-[6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide;6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for (4-bromophenyl)methanamine;N-[(4-bromophenyl)methyl]-6-ethylimidazo[2,1-b][1,3]thiazole-5-carboxamide;6-ethyl-N-[[4-[6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide;6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane is CCc1nc2sccn2c1C(=O)NCc1ccc(Br)cc1.CCc1nc2sccn2c1C(=O)NCc1ccc(N2CC3C(C2)C3C(F)(F)F)cc1.Cc1nc2sccn2c1C(=O)O.FC(F)(F)C1C2CNCC21.NCc1ccc(Br)cc1.
What is the InChIKey of (4-bromophenyl)methanamine;N-[(4-bromophenyl)methyl]-6-ethylimidazo[2,1-b][1,3]thiazole-5-carboxamide;6-ethyl-N-[[4-[6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide;6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane?
The InChIKey is IOZYNQIEXOWLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N4OS.C15H14BrN3OS.C7H8BrN.C7H6N2O2S.C6H8F3N/c1-2-16-18(28-7-8-30-20(28)26-16)19(29)25-9-12-3-5-13(6-4-12)27-10-14-15(11-27)17(14)21(22,23)24;1-2-12-13(19-7-8-21-15(19)18-12)14(20)17-9-10-3-5-11(16)6-4-10;8-7-3-1-6(5-9)2-4-7;1-4-5(6(10)11)9-2-3-12-7(9)8-4;7-6(8,9)5-3-1-10-2-4(3)5/h3-8,14-15,17H,2,9-11H2,1H3,(H,25,29);3-8H,2,9H2,1H3,(H,17,20);1-4H,5,9H2;2-3H,1H3,(H,10,11);3-5,10H,1-2H2.
What are the key properties of (4-bromophenyl)methanamine;N-[(4-bromophenyl)methyl]-6-ethylimidazo[2,1-b][1,3]thiazole-5-carboxamide;6-ethyl-N-[[4-[6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide;6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane?
(4-bromophenyl)methanamine;N-[(4-bromophenyl)methyl]-6-ethylimidazo[2,1-b][1,3]thiazole-5-carboxamide;6-ethyl-N-[[4-[6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide;6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane has a molecular weight of 1318.14 g/mol, XLogP of 12.11, 11 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)methanamine;N-[(4-bromophenyl)methyl]-6-ethylimidazo[2,1-b][1,3]thiazole-5-carboxamide;6-ethyl-N-[[4-[6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide;6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid;6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 158763875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).