2-[2-tert-butyl-4-(4-chlorophenyl)-1,3-thiazol-5-yl]-N,N-dimethylethanamine;1-[2-tert-butyl-4-(4-chlorophenyl)-1,3-thiazol-5-yl]-N,N-dimethylmethanamine;2-tert-butyl-6-(3,4-dichlorophenyl)pyridine;4-(2-tert-butyl-5-ethyl-1,3-thiazol-4-yl)-N,N-diethyl-2-fluoroaniline;2-tert-butyl-4-[2-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazole;2-tert-butyl-4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazole;2-tert-butyl-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazole;3-(2-tert-butyl-5-methyl-1,3-thiazol-4-yl)-N,N-diethylaniline

C127H151Cl4F13N12S7 — CID 160644131

IUPAC2-[2-tert-butyl-4-(4-chlorophenyl)-1,3-thiazol-5-yl]-N,N-dimethylethanamine;1-[2-tert-butyl-4-(4-chlorophenyl)-1,3-thiazol-5-yl]-N,N-dimethylmethanamine;2-tert-butyl-6-(3,4-dichlorophenyl)pyridine;4-(2-tert-butyl-5-ethyl-1,3-thiazol-4-yl)-N,N-diethyl-2-fluoroaniline;2-tert-butyl-4-[2-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazole;2-tert-butyl-4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazole;2-tert-butyl-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazole;3-(2-tert-butyl-5-methyl-1,3-thiazol-4-yl)-N,N-diethylaniline
SMILESCC(C)(C)c1cccc(-c2ccc(Cl)c(Cl)c2)n1.CC(C)(C)c1nc(-c2cc(F)cc(C(F)(F)F)c2)cs1.CC(C)(C)c1nc(-c2ccc(C(F)(F)F)c(F)c2)cs1.CC(C)(C)c1nc(-c2ccc(C(F)(F)F)cc2F)cs1.CCN(CC)c1cccc(-c2nc(C(C)(C)C)sc2C)c1.CCc1sc(C(C)(C)C)nc1-c1ccc(N(CC)CC)c(F)c1.CN(C)CCc1sc(C(C)(C)C)nc1-c1ccc(Cl)cc1.CN(C)Cc1sc(C(C)(C)C)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C19H27FN2S.C18H26N2S.C17H23ClN2S.C16H21ClN2S.C15H15Cl2N.3C14H13F4NS/c1-7-16-17(21-18(23-16)19(4,5)6)13-10-11-15(14(20)12-13)22(8-2)9-3;1-7-20(8-2)15-11-9-10-14(12-15)16-13(3)21-17(19-16)18(4,5)6;1-17(2,3)16-19-15(12-6-8-13(18)9-7-12)14(21-16)10-11-20(4)5;1-16(2,3)15-18-14(13(20-15)10-19(4)5)11-6-8-12(17)9-7-11;1-15(2,3)14-6-4-5-13(18-14)10-7-8-11(16)12(17)9-10;1-13(2,3)12-19-11(7-20-12)8-4-9(14(16,17)18)6-10(15)5-8;1-13(2,3)12-19-11(7-20-12)9-5-4-8(6-10(9)15)14(16,17)18;1-13(2,3)12-19-11(7-20-12)8-4-5-9(10(15)6-8)14(16,17)18/h10-12H,7-9H2,1-6H3;9-12H,7-8H2,1-6H3;6-9H,10-11H2,1-5H3;6-9H,10H2,1-5H3;4-9H,1-3H3;3*4-7H,1-3H3
InChIKeyRJODTNIPCPBYMR-UHFFFAOYSA-N
MW2458.94 g/mol
LogP41.75
Rot. Bonds20

About 2-[2-tert-butyl-4-(4-chlorophenyl)-1,3-thiazol-5-yl]-N,N-dimethylethanamine;1-[2-tert-butyl-4-(4-chlorophenyl)-1,3-thiazol-5-yl]-N,N-dimethylmethanamine;2-tert-butyl-6-(3,4-dichlorophenyl)pyridine;4-(2-tert-butyl-5-ethyl-1,3-thiazol-4-yl)-N,N-diethyl-2-fluoroaniline;2-tert-butyl-4-[2-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazole;2-tert-butyl-4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazole;2-tert-butyl-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazole;3-(2-tert-butyl-5-methyl-1,3-thiazol-4-yl)-N,N-diethylaniline

2-[2-tert-butyl-4-(4-chlorophenyl)-1,3-thiazol-5-yl]-N,N-dimethylethanamine;1-[2-tert-butyl-4-(4-chlorophenyl)-1,3-thiazol-5-yl]-N,N-dimethylmethanamine;2-tert-butyl-6-(3,4-dichlorophenyl)pyridine;4-(2-tert-butyl-5-ethyl-1,3-thiazol-4-yl)-N,N-diethyl-2-fluoroaniline;2-tert-butyl-4-[2-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazole;2-tert-butyl-4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazole;2-tert-butyl-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazole;3-(2-tert-butyl-5-methyl-1,3-thiazol-4-yl)-N,N-diethylaniline (PubChem CID 160644131) has the molecular formula C127H151Cl4F13N12S7 and a molecular weight of 2458.94 g/mol. Its IUPAC name is 2-[2-tert-butyl-4-(4-chlorophenyl)-1,3-thiazol-5-yl]-N,N-dimethylethanamine;1-[2-tert-butyl-4-(4-chlorophenyl)-1,3-thiazol-5-yl]-N,N-dimethylmethanamine;2-tert-butyl-6-(3,4-dichlorophenyl)pyridine;4-(2-tert-butyl-5-ethyl-1,3-thiazol-4-yl)-N,N-diethyl-2-fluoroaniline;2-tert-butyl-4-[2-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazole;2-tert-butyl-4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazole;2-tert-butyl-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazole;3-(2-tert-butyl-5-methyl-1,3-thiazol-4-yl)-N,N-diethylaniline.

Molecular Properties

Compound Name2-[2-tert-butyl-4-(4-chlorophenyl)-1,3-thiazol-5-yl]-N,N-dimethylethanamine;1-[2-tert-butyl-4-(4-chlorophenyl)-1,3-thiazol-5-yl]-N,N-dimethylmethanamine;2-tert-butyl-6-(3,4-dichlorophenyl)pyridine;4-(2-tert-butyl-5-ethyl-1,3-thiazol-4-yl)-N,N-diethyl-2-fluoroaniline;2-tert-butyl-4-[2-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazole;2-tert-butyl-4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazole;2-tert-butyl-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazole;3-(2-tert-butyl-5-methyl-1,3-thiazol-4-yl)-N,N-diethylaniline
PubChem CID160644131
Molecular FormulaC127H151Cl4F13N12S7
Molecular Weight2458.94 g/mol
Exact Mass2454.88
IUPAC Name2-[2-tert-butyl-4-(4-chlorophenyl)-1,3-thiazol-5-yl]-N,N-dimethylethanamine;1-[2-tert-butyl-4-(4-chlorophenyl)-1,3-thiazol-5-yl]-N,N-dimethylmethanamine;2-tert-butyl-6-(3,4-dichlorophenyl)pyridine;4-(2-tert-butyl-5-ethyl-1,3-thiazol-4-yl)-N,N-diethyl-2-fluoroaniline;2-tert-butyl-4-[2-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazole;2-tert-butyl-4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazole;2-tert-butyl-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazole;3-(2-tert-butyl-5-methyl-1,3-thiazol-4-yl)-N,N-diethylaniline
SMILESCC(C)(C)c1cccc(-c2ccc(Cl)c(Cl)c2)n1.CC(C)(C)c1nc(-c2cc(F)cc(C(F)(F)F)c2)cs1.CC(C)(C)c1nc(-c2ccc(C(F)(F)F)c(F)c2)cs1.CC(C)(C)c1nc(-c2ccc(C(F)(F)F)cc2F)cs1.CCN(CC)c1cccc(-c2nc(C(C)(C)C)sc2C)c1.CCc1sc(C(C)(C)C)nc1-c1ccc(N(CC)CC)c(F)c1.CN(C)CCc1sc(C(C)(C)C)nc1-c1ccc(Cl)cc1.CN(C)Cc1sc(C(C)(C)C)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C19H27FN2S.C18H26N2S.C17H23ClN2S.C16H21ClN2S.C15H15Cl2N.3C14H13F4NS/c1-7-16-17(21-18(23-16)19(4,5)6)13-10-11-15(14(20)12-13)22(8-2)9-3;1-7-20(8-2)15-11-9-10-14(12-15)16-13(3)21-17(19-16)18(4,5)6;1-17(2,3)16-19-15(12-6-8-13(18)9-7-12)14(21-16)10-11-20(4)5;1-16(2,3)15-18-14(13(20-15)10-19(4)5)11-6-8-12(17)9-7-11;1-15(2,3)14-6-4-5-13(18-14)10-7-8-11(16)12(17)9-10;1-13(2,3)12-19-11(7-20-12)8-4-9(14(16,17)18)6-10(15)5-8;1-13(2,3)12-19-11(7-20-12)9-5-4-8(6-10(9)15)14(16,17)18;1-13(2,3)12-19-11(7-20-12)8-4-5-9(10(15)6-8)14(16,17)18/h10-12H,7-9H2,1-6H3;9-12H,7-8H2,1-6H3;6-9H,10-11H2,1-5H3;6-9H,10H2,1-5H3;4-9H,1-3H3;3*4-7H,1-3H3
InChIKeyRJODTNIPCPBYMR-UHFFFAOYSA-N
XLogP41.75
TPSA116.08 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds20
Heavy Atoms163
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002458.94
LogP ≤ 541.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 2-[2-tert-butyl-4-(4-chlorophenyl)-1,3-thiazol-5-yl]-N,N-dimethylethanamine;1-[2-tert-butyl-4-(4-chlorophenyl)-1,3-thiazol-5-yl]-N,N-dimethylmethanamine;2-tert-butyl-6-(3,4-dichlorophenyl)pyridine;4-(2-tert-butyl-5-ethyl-1,3-thiazol-4-yl)-N,N-diethyl-2-fluoroaniline;2-tert-butyl-4-[2-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazole;2-tert-butyl-4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazole;2-tert-butyl-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazole;3-(2-tert-butyl-5-methyl-1,3-thiazol-4-yl)-N,N-diethylaniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-tert-butyl-4-(4-chlorophenyl)-1,3-thiazol-5-yl]-N,N-dimethylethanamine;1-[2-tert-butyl-4-(4-chlorophenyl)-1,3-thiazol-5-yl]-N,N-dimethylmethanamine;2-tert-butyl-6-(3,4-dichlorophenyl)pyridine;4-(2-tert-butyl-5-ethyl-1,3-thiazol-4-yl)-N,N-diethyl-2-fluoroaniline;2-tert-butyl-4-[2-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazole;2-tert-butyl-4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazole;2-tert-butyl-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazole;3-(2-tert-butyl-5-methyl-1,3-thiazol-4-yl)-N,N-diethylaniline?
The IUPAC name of 2-[2-tert-butyl-4-(4-chlorophenyl)-1,3-thiazol-5-yl]-N,N-dimethylethanamine;1-[2-tert-butyl-4-(4-chlorophenyl)-1,3-thiazol-5-yl]-N,N-dimethylmethanamine;2-tert-butyl-6-(3,4-dichlorophenyl)pyridine;4-(2-tert-butyl-5-ethyl-1,3-thiazol-4-yl)-N,N-diethyl-2-fluoroaniline;2-tert-butyl-4-[2-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazole;2-tert-butyl-4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazole;2-tert-butyl-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazole;3-(2-tert-butyl-5-methyl-1,3-thiazol-4-yl)-N,N-diethylaniline (CID 160644131) is 2-[2-tert-butyl-4-(4-chlorophenyl)-1,3-thiazol-5-yl]-N,N-dimethylethanamine;1-[2-tert-butyl-4-(4-chlorophenyl)-1,3-thiazol-5-yl]-N,N-dimethylmethanamine;2-tert-butyl-6-(3,4-dichlorophenyl)pyridine;4-(2-tert-butyl-5-ethyl-1,3-thiazol-4-yl)-N,N-diethyl-2-fluoroaniline;2-tert-butyl-4-[2-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazole;2-tert-butyl-4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazole;2-tert-butyl-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazole;3-(2-tert-butyl-5-methyl-1,3-thiazol-4-yl)-N,N-diethylaniline.
What is the SMILES notation for 2-[2-tert-butyl-4-(4-chlorophenyl)-1,3-thiazol-5-yl]-N,N-dimethylethanamine;1-[2-tert-butyl-4-(4-chlorophenyl)-1,3-thiazol-5-yl]-N,N-dimethylmethanamine;2-tert-butyl-6-(3,4-dichlorophenyl)pyridine;4-(2-tert-butyl-5-ethyl-1,3-thiazol-4-yl)-N,N-diethyl-2-fluoroaniline;2-tert-butyl-4-[2-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazole;2-tert-butyl-4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazole;2-tert-butyl-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazole;3-(2-tert-butyl-5-methyl-1,3-thiazol-4-yl)-N,N-diethylaniline?
The canonical SMILES for 2-[2-tert-butyl-4-(4-chlorophenyl)-1,3-thiazol-5-yl]-N,N-dimethylethanamine;1-[2-tert-butyl-4-(4-chlorophenyl)-1,3-thiazol-5-yl]-N,N-dimethylmethanamine;2-tert-butyl-6-(3,4-dichlorophenyl)pyridine;4-(2-tert-butyl-5-ethyl-1,3-thiazol-4-yl)-N,N-diethyl-2-fluoroaniline;2-tert-butyl-4-[2-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazole;2-tert-butyl-4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazole;2-tert-butyl-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazole;3-(2-tert-butyl-5-methyl-1,3-thiazol-4-yl)-N,N-diethylaniline is CC(C)(C)c1cccc(-c2ccc(Cl)c(Cl)c2)n1.CC(C)(C)c1nc(-c2cc(F)cc(C(F)(F)F)c2)cs1.CC(C)(C)c1nc(-c2ccc(C(F)(F)F)c(F)c2)cs1.CC(C)(C)c1nc(-c2ccc(C(F)(F)F)cc2F)cs1.CCN(CC)c1cccc(-c2nc(C(C)(C)C)sc2C)c1.CCc1sc(C(C)(C)C)nc1-c1ccc(N(CC)CC)c(F)c1.CN(C)CCc1sc(C(C)(C)C)nc1-c1ccc(Cl)cc1.CN(C)Cc1sc(C(C)(C)C)nc1-c1ccc(Cl)cc1.
What is the InChIKey of 2-[2-tert-butyl-4-(4-chlorophenyl)-1,3-thiazol-5-yl]-N,N-dimethylethanamine;1-[2-tert-butyl-4-(4-chlorophenyl)-1,3-thiazol-5-yl]-N,N-dimethylmethanamine;2-tert-butyl-6-(3,4-dichlorophenyl)pyridine;4-(2-tert-butyl-5-ethyl-1,3-thiazol-4-yl)-N,N-diethyl-2-fluoroaniline;2-tert-butyl-4-[2-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazole;2-tert-butyl-4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazole;2-tert-butyl-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazole;3-(2-tert-butyl-5-methyl-1,3-thiazol-4-yl)-N,N-diethylaniline?
The InChIKey is RJODTNIPCPBYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2S.C18H26N2S.C17H23ClN2S.C16H21ClN2S.C15H15Cl2N.3C14H13F4NS/c1-7-16-17(21-18(23-16)19(4,5)6)13-10-11-15(14(20)12-13)22(8-2)9-3;1-7-20(8-2)15-11-9-10-14(12-15)16-13(3)21-17(19-16)18(4,5)6;1-17(2,3)16-19-15(12-6-8-13(18)9-7-12)14(21-16)10-11-20(4)5;1-16(2,3)15-18-14(13(20-15)10-19(4)5)11-6-8-12(17)9-7-11;1-15(2,3)14-6-4-5-13(18-14)10-7-8-11(16)12(17)9-10;1-13(2,3)12-19-11(7-20-12)8-4-9(14(16,17)18)6-10(15)5-8;1-13(2,3)12-19-11(7-20-12)9-5-4-8(6-10(9)15)14(16,17)18;1-13(2,3)12-19-11(7-20-12)8-4-5-9(10(15)6-8)14(16,17)18/h10-12H,7-9H2,1-6H3;9-12H,7-8H2,1-6H3;6-9H,10-11H2,1-5H3;6-9H,10H2,1-5H3;4-9H,1-3H3;3*4-7H,1-3H3.
What are the key properties of 2-[2-tert-butyl-4-(4-chlorophenyl)-1,3-thiazol-5-yl]-N,N-dimethylethanamine;1-[2-tert-butyl-4-(4-chlorophenyl)-1,3-thiazol-5-yl]-N,N-dimethylmethanamine;2-tert-butyl-6-(3,4-dichlorophenyl)pyridine;4-(2-tert-butyl-5-ethyl-1,3-thiazol-4-yl)-N,N-diethyl-2-fluoroaniline;2-tert-butyl-4-[2-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazole;2-tert-butyl-4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazole;2-tert-butyl-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazole;3-(2-tert-butyl-5-methyl-1,3-thiazol-4-yl)-N,N-diethylaniline?
2-[2-tert-butyl-4-(4-chlorophenyl)-1,3-thiazol-5-yl]-N,N-dimethylethanamine;1-[2-tert-butyl-4-(4-chlorophenyl)-1,3-thiazol-5-yl]-N,N-dimethylmethanamine;2-tert-butyl-6-(3,4-dichlorophenyl)pyridine;4-(2-tert-butyl-5-ethyl-1,3-thiazol-4-yl)-N,N-diethyl-2-fluoroaniline;2-tert-butyl-4-[2-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazole;2-tert-butyl-4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazole;2-tert-butyl-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazole;3-(2-tert-butyl-5-methyl-1,3-thiazol-4-yl)-N,N-diethylaniline has a molecular weight of 2458.94 g/mol, XLogP of 41.75, 20 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-tert-butyl-4-(4-chlorophenyl)-1,3-thiazol-5-yl]-N,N-dimethylethanamine;1-[2-tert-butyl-4-(4-chlorophenyl)-1,3-thiazol-5-yl]-N,N-dimethylmethanamine;2-tert-butyl-6-(3,4-dichlorophenyl)pyridine;4-(2-tert-butyl-5-ethyl-1,3-thiazol-4-yl)-N,N-diethyl-2-fluoroaniline;2-tert-butyl-4-[2-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazole;2-tert-butyl-4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazole;2-tert-butyl-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazole;3-(2-tert-butyl-5-methyl-1,3-thiazol-4-yl)-N,N-diethylaniline is sourced from PubChem (CID 160644131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).