4-bromo-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;4-(2-fluoro-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;methane;propan-1-ol;4-(2-propoxy-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine

C58H58BBrF11N9O4S3 — CID 158631118

IUPAC4-bromo-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;4-(2-fluoro-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;methane;propan-1-ol;4-(2-propoxy-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESC.CC1(C)OB(c2ccnc(F)c2)OC1(C)C.CCCO.CCCOc1cc(-c2csc(Nc3cccc(C(F)(F)F)c3)n2)ccn1.FC(F)(F)c1cccc(Nc2nc(Br)cs2)c1.Fc1cc(-c2csc(Nc3cccc(C(F)(F)F)c3)n2)ccn1
InChIInChI=1S/C18H16F3N3OS.C15H9F4N3S.C11H15BFNO2.C10H6BrF3N2S.C3H8O.CH4/c1-2-8-25-16-9-12(6-7-22-16)15-11-26-17(24-15)23-14-5-3-4-13(10-14)18(19,20)21;16-13-6-9(4-5-20-13)12-8-23-14(22-12)21-11-3-1-2-10(7-11)15(17,18)19;1-10(2)11(3,4)16-12(15-10)8-5-6-14-9(13)7-8;11-8-5-17-9(16-8)15-7-3-1-2-6(4-7)10(12,13)14;1-2-3-4;/h3-7,9-11H,2,8H2,1H3,(H,23,24);1-8H,(H,21,22);5-7H,1-4H3;1-5H,(H,15,16);4H,2-3H2,1H3;1H4
InChIKeyHZEZHOKZTIKIHB-UHFFFAOYSA-N
MW1341.06 g/mol
LogP18.08
Rot. Bonds13

About 4-bromo-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;4-(2-fluoro-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;methane;propan-1-ol;4-(2-propoxy-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine

4-bromo-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;4-(2-fluoro-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;methane;propan-1-ol;4-(2-propoxy-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (PubChem CID 158631118) has the molecular formula C58H58BBrF11N9O4S3 and a molecular weight of 1341.06 g/mol. Its IUPAC name is 4-bromo-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;4-(2-fluoro-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;methane;propan-1-ol;4-(2-propoxy-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-bromo-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;4-(2-fluoro-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;methane;propan-1-ol;4-(2-propoxy-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
PubChem CID158631118
Molecular FormulaC58H58BBrF11N9O4S3
Molecular Weight1341.06 g/mol
Exact Mass1339.29
IUPAC Name4-bromo-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;4-(2-fluoro-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;methane;propan-1-ol;4-(2-propoxy-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESC.CC1(C)OB(c2ccnc(F)c2)OC1(C)C.CCCO.CCCOc1cc(-c2csc(Nc3cccc(C(F)(F)F)c3)n2)ccn1.FC(F)(F)c1cccc(Nc2nc(Br)cs2)c1.Fc1cc(-c2csc(Nc3cccc(C(F)(F)F)c3)n2)ccn1
InChIInChI=1S/C18H16F3N3OS.C15H9F4N3S.C11H15BFNO2.C10H6BrF3N2S.C3H8O.CH4/c1-2-8-25-16-9-12(6-7-22-16)15-11-26-17(24-15)23-14-5-3-4-13(10-14)18(19,20)21;16-13-6-9(4-5-20-13)12-8-23-14(22-12)21-11-3-1-2-10(7-11)15(17,18)19;1-10(2)11(3,4)16-12(15-10)8-5-6-14-9(13)7-8;11-8-5-17-9(16-8)15-7-3-1-2-6(4-7)10(12,13)14;1-2-3-4;/h3-7,9-11H,2,8H2,1H3,(H,23,24);1-8H,(H,21,22);5-7H,1-4H3;1-5H,(H,15,16);4H,2-3H2,1H3;1H4
InChIKeyHZEZHOKZTIKIHB-UHFFFAOYSA-N
XLogP18.08
TPSA161.35 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds13
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001341.06
LogP ≤ 518.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 4-bromo-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;4-(2-fluoro-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;methane;propan-1-ol;4-(2-propoxy-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-fluoro-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;methane;methyl 2-hydroxyacetate;methyl 2-[[4-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-2-pyridinyl]oxy]acetate
CID 157260713
acetonitrile;2-(dimethylamino)ethanol;4-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;4-(2-fluoro-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;iodomethane;methane;trimethyl-[2-[[4-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-2-pyridinyl]oxy]ethyl]azanium;iodide
CID 159727147

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;4-(2-fluoro-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;methane;propan-1-ol;4-(2-propoxy-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-bromo-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;4-(2-fluoro-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;methane;propan-1-ol;4-(2-propoxy-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (CID 158631118) is 4-bromo-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;4-(2-fluoro-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;methane;propan-1-ol;4-(2-propoxy-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-bromo-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;4-(2-fluoro-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;methane;propan-1-ol;4-(2-propoxy-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-bromo-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;4-(2-fluoro-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;methane;propan-1-ol;4-(2-propoxy-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is C.CC1(C)OB(c2ccnc(F)c2)OC1(C)C.CCCO.CCCOc1cc(-c2csc(Nc3cccc(C(F)(F)F)c3)n2)ccn1.FC(F)(F)c1cccc(Nc2nc(Br)cs2)c1.Fc1cc(-c2csc(Nc3cccc(C(F)(F)F)c3)n2)ccn1.
What is the InChIKey of 4-bromo-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;4-(2-fluoro-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;methane;propan-1-ol;4-(2-propoxy-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The InChIKey is HZEZHOKZTIKIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3OS.C15H9F4N3S.C11H15BFNO2.C10H6BrF3N2S.C3H8O.CH4/c1-2-8-25-16-9-12(6-7-22-16)15-11-26-17(24-15)23-14-5-3-4-13(10-14)18(19,20)21;16-13-6-9(4-5-20-13)12-8-23-14(22-12)21-11-3-1-2-10(7-11)15(17,18)19;1-10(2)11(3,4)16-12(15-10)8-5-6-14-9(13)7-8;11-8-5-17-9(16-8)15-7-3-1-2-6(4-7)10(12,13)14;1-2-3-4;/h3-7,9-11H,2,8H2,1H3,(H,23,24);1-8H,(H,21,22);5-7H,1-4H3;1-5H,(H,15,16);4H,2-3H2,1H3;1H4.
What are the key properties of 4-bromo-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;4-(2-fluoro-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;methane;propan-1-ol;4-(2-propoxy-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
4-bromo-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;4-(2-fluoro-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;methane;propan-1-ol;4-(2-propoxy-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine has a molecular weight of 1341.06 g/mol, XLogP of 18.08, 13 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;4-(2-fluoro-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;methane;propan-1-ol;4-(2-propoxy-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 158631118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).