4-(4-tert-butylphenyl)-2-[4-(ethoxymethyl)piperazin-1-yl]-1,3-thiazole;4-(4-tert-butylphenyl)-5-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole;4-(4-tert-butylphenyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole;1-[[5-(4-tert-butylphenyl)thiophen-2-yl]methyl]-4,4-difluoropiperidine;1-[[5-(4-tert-butylphenyl)thiophen-2-yl]methyl]-4-fluoropiperidine;4-[[5-(4-tert-butylphenyl)thiophen-2-yl]methyl]morpholine

C116H157F3N12O2S6 — CID 161473466

IUPAC4-(4-tert-butylphenyl)-2-[4-(ethoxymethyl)piperazin-1-yl]-1,3-thiazole;4-(4-tert-butylphenyl)-5-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole;4-(4-tert-butylphenyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole;1-[[5-(4-tert-butylphenyl)thiophen-2-yl]methyl]-4,4-difluoropiperidine;1-[[5-(4-tert-butylphenyl)thiophen-2-yl]methyl]-4-fluoropiperidine;4-[[5-(4-tert-butylphenyl)thiophen-2-yl]methyl]morpholine
SMILESCC(C)(C)c1ccc(-c2ccc(CN3CCC(F)(F)CC3)s2)cc1.CC(C)(C)c1ccc(-c2ccc(CN3CCC(F)CC3)s2)cc1.CC(C)(C)c1ccc(-c2ccc(CN3CCOCC3)s2)cc1.CCOCN1CCN(c2nc(-c3ccc(C(C)(C)C)cc3)cs2)CC1.CN1CCN(c2nc(-c3ccc(C(C)(C)C)cc3)cs2)CC1.Cc1sc(N2CCN(C)CC2)nc1-c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H25F2NS.C20H26FNS.C20H29N3OS.C19H27N3S.C19H25NOS.C18H25N3S/c1-19(2,3)16-6-4-15(5-7-16)18-9-8-17(24-18)14-23-12-10-20(21,22)11-13-23;1-20(2,3)16-6-4-15(5-7-16)19-9-8-18(23-19)14-22-12-10-17(21)11-13-22;1-5-24-15-22-10-12-23(13-11-22)19-21-18(14-25-19)16-6-8-17(9-7-16)20(2,3)4;1-14-17(15-6-8-16(9-7-15)19(2,3)4)20-18(23-14)22-12-10-21(5)11-13-22;1-19(2,3)16-6-4-15(5-7-16)18-9-8-17(22-18)14-20-10-12-21-13-11-20;1-18(2,3)15-7-5-14(6-8-15)16-13-22-17(19-16)21-11-9-20(4)10-12-21/h4-9H,10-14H2,1-3H3;4-9,17H,10-14H2,1-3H3;6-9,14H,5,10-13,15H2,1-4H3;6-9H,10-13H2,1-5H3;4-9H,10-14H2,1-3H3;5-8,13H,9-12H2,1-4H3
InChIKeyWDJYOKQXYRFHBX-UHFFFAOYSA-N
MW2001.01 g/mol
LogP28.39
Rot. Bonds18

About 4-(4-tert-butylphenyl)-2-[4-(ethoxymethyl)piperazin-1-yl]-1,3-thiazole;4-(4-tert-butylphenyl)-5-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole;4-(4-tert-butylphenyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole;1-[[5-(4-tert-butylphenyl)thiophen-2-yl]methyl]-4,4-difluoropiperidine;1-[[5-(4-tert-butylphenyl)thiophen-2-yl]methyl]-4-fluoropiperidine;4-[[5-(4-tert-butylphenyl)thiophen-2-yl]methyl]morpholine

4-(4-tert-butylphenyl)-2-[4-(ethoxymethyl)piperazin-1-yl]-1,3-thiazole;4-(4-tert-butylphenyl)-5-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole;4-(4-tert-butylphenyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole;1-[[5-(4-tert-butylphenyl)thiophen-2-yl]methyl]-4,4-difluoropiperidine;1-[[5-(4-tert-butylphenyl)thiophen-2-yl]methyl]-4-fluoropiperidine;4-[[5-(4-tert-butylphenyl)thiophen-2-yl]methyl]morpholine (PubChem CID 161473466) has the molecular formula C116H157F3N12O2S6 and a molecular weight of 2001.01 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)-2-[4-(ethoxymethyl)piperazin-1-yl]-1,3-thiazole;4-(4-tert-butylphenyl)-5-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole;4-(4-tert-butylphenyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole;1-[[5-(4-tert-butylphenyl)thiophen-2-yl]methyl]-4,4-difluoropiperidine;1-[[5-(4-tert-butylphenyl)thiophen-2-yl]methyl]-4-fluoropiperidine;4-[[5-(4-tert-butylphenyl)thiophen-2-yl]methyl]morpholine.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)-2-[4-(ethoxymethyl)piperazin-1-yl]-1,3-thiazole;4-(4-tert-butylphenyl)-5-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole;4-(4-tert-butylphenyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole;1-[[5-(4-tert-butylphenyl)thiophen-2-yl]methyl]-4,4-difluoropiperidine;1-[[5-(4-tert-butylphenyl)thiophen-2-yl]methyl]-4-fluoropiperidine;4-[[5-(4-tert-butylphenyl)thiophen-2-yl]methyl]morpholine
PubChem CID161473466
Molecular FormulaC116H157F3N12O2S6
Molecular Weight2001.01 g/mol
Exact Mass1999.08
IUPAC Name4-(4-tert-butylphenyl)-2-[4-(ethoxymethyl)piperazin-1-yl]-1,3-thiazole;4-(4-tert-butylphenyl)-5-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole;4-(4-tert-butylphenyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole;1-[[5-(4-tert-butylphenyl)thiophen-2-yl]methyl]-4,4-difluoropiperidine;1-[[5-(4-tert-butylphenyl)thiophen-2-yl]methyl]-4-fluoropiperidine;4-[[5-(4-tert-butylphenyl)thiophen-2-yl]methyl]morpholine
SMILESCC(C)(C)c1ccc(-c2ccc(CN3CCC(F)(F)CC3)s2)cc1.CC(C)(C)c1ccc(-c2ccc(CN3CCC(F)CC3)s2)cc1.CC(C)(C)c1ccc(-c2ccc(CN3CCOCC3)s2)cc1.CCOCN1CCN(c2nc(-c3ccc(C(C)(C)C)cc3)cs2)CC1.CN1CCN(c2nc(-c3ccc(C(C)(C)C)cc3)cs2)CC1.Cc1sc(N2CCN(C)CC2)nc1-c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H25F2NS.C20H26FNS.C20H29N3OS.C19H27N3S.C19H25NOS.C18H25N3S/c1-19(2,3)16-6-4-15(5-7-16)18-9-8-17(24-18)14-23-12-10-20(21,22)11-13-23;1-20(2,3)16-6-4-15(5-7-16)19-9-8-18(23-19)14-22-12-10-17(21)11-13-22;1-5-24-15-22-10-12-23(13-11-22)19-21-18(14-25-19)16-6-8-17(9-7-16)20(2,3)4;1-14-17(15-6-8-16(9-7-15)19(2,3)4)20-18(23-14)22-12-10-21(5)11-13-22;1-19(2,3)16-6-4-15(5-7-16)18-9-8-17(22-18)14-20-10-12-21-13-11-20;1-18(2,3)15-7-5-14(6-8-15)16-13-22-17(19-16)21-11-9-20(4)10-12-21/h4-9H,10-14H2,1-3H3;4-9,17H,10-14H2,1-3H3;6-9,14H,5,10-13,15H2,1-4H3;6-9H,10-13H2,1-5H3;4-9H,10-14H2,1-3H3;5-8,13H,9-12H2,1-4H3
InChIKeyWDJYOKQXYRFHBX-UHFFFAOYSA-N
XLogP28.39
TPSA86.29 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds18
Heavy Atoms139
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002001.01
LogP ≤ 528.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 4-(4-tert-butylphenyl)-2-[4-(ethoxymethyl)piperazin-1-yl]-1,3-thiazole;4-(4-tert-butylphenyl)-5-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole;4-(4-tert-butylphenyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole;1-[[5-(4-tert-butylphenyl)thiophen-2-yl]methyl]-4,4-difluoropiperidine;1-[[5-(4-tert-butylphenyl)thiophen-2-yl]methyl]-4-fluoropiperidine;4-[[5-(4-tert-butylphenyl)thiophen-2-yl]methyl]morpholine with MolForge

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Related Compounds

4-(4-Tert-butylphenyl)-2-[4-(2-methoxyethyl)piperazin-1-yl]-1,3-thiazole;4-(4-tert-butylphenyl)-5-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole;4-(4-tert-butylphenyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole;1-[[5-(4-tert-butylphenyl)thiophen-2-yl]methyl]-4,4-difluoropiperidine;1-[[5-(4-tert-butylphenyl)thiophen-2-yl]methyl]-4-fluoropiperidine;4-[[5-(4-tert-butylphenyl)thiophen-2-yl]methyl]morpholine
CID 157384012
Methane;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;4-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-(6-propan-2-yl-2-pyridinyl)morpholine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine;2-propan-2-yl-1,3-thiazole
CID 157229893
Methane;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;4-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-(6-propan-2-yl-2-pyridinyl)morpholine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine;2-propan-2-yl-1,3-thiazole
CID 159474617
4-[4-(2,5-Difluorophenyl)-1,3-thiazol-2-yl]morpholine;2-(4-ethylphenyl)-4-phenyl-1,3-thiazole;4-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)morpholine;4-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]morpholine;4-[4-(4-isocyanophenyl)-1,3-thiazol-2-yl]morpholine;methane;[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]methanethiol;4-phenyl-2-pyridin-2-yl-1,3-thiazole
CID 161860543
N,N-dimethyl-1-(4-propan-2-ylphenyl)methanamine;N,N-dimethyl-1-(5-propan-2-yl-3-pyridinyl)methanamine;N,N-dimethyl-1-(6-propan-2-yl-2-pyridinyl)methanamine;2,5-di(propan-2-yl)pyridine;2-fluoro-5-propan-2-ylpyridine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;bis(2-methyl-5-propan-2-ylpyridine);1-methyl-4-[1-(3-propan-2-yl-2-pyridinyl)piperidin-4-yl]piperazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-[1-(3-propan-2-yl-2-pyridinyl)piperidin-4-yl]morpholine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole
CID 167691510

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)-2-[4-(ethoxymethyl)piperazin-1-yl]-1,3-thiazole;4-(4-tert-butylphenyl)-5-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole;4-(4-tert-butylphenyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole;1-[[5-(4-tert-butylphenyl)thiophen-2-yl]methyl]-4,4-difluoropiperidine;1-[[5-(4-tert-butylphenyl)thiophen-2-yl]methyl]-4-fluoropiperidine;4-[[5-(4-tert-butylphenyl)thiophen-2-yl]methyl]morpholine?
The IUPAC name of 4-(4-tert-butylphenyl)-2-[4-(ethoxymethyl)piperazin-1-yl]-1,3-thiazole;4-(4-tert-butylphenyl)-5-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole;4-(4-tert-butylphenyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole;1-[[5-(4-tert-butylphenyl)thiophen-2-yl]methyl]-4,4-difluoropiperidine;1-[[5-(4-tert-butylphenyl)thiophen-2-yl]methyl]-4-fluoropiperidine;4-[[5-(4-tert-butylphenyl)thiophen-2-yl]methyl]morpholine (CID 161473466) is 4-(4-tert-butylphenyl)-2-[4-(ethoxymethyl)piperazin-1-yl]-1,3-thiazole;4-(4-tert-butylphenyl)-5-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole;4-(4-tert-butylphenyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole;1-[[5-(4-tert-butylphenyl)thiophen-2-yl]methyl]-4,4-difluoropiperidine;1-[[5-(4-tert-butylphenyl)thiophen-2-yl]methyl]-4-fluoropiperidine;4-[[5-(4-tert-butylphenyl)thiophen-2-yl]methyl]morpholine.
What is the SMILES notation for 4-(4-tert-butylphenyl)-2-[4-(ethoxymethyl)piperazin-1-yl]-1,3-thiazole;4-(4-tert-butylphenyl)-5-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole;4-(4-tert-butylphenyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole;1-[[5-(4-tert-butylphenyl)thiophen-2-yl]methyl]-4,4-difluoropiperidine;1-[[5-(4-tert-butylphenyl)thiophen-2-yl]methyl]-4-fluoropiperidine;4-[[5-(4-tert-butylphenyl)thiophen-2-yl]methyl]morpholine?
The canonical SMILES for 4-(4-tert-butylphenyl)-2-[4-(ethoxymethyl)piperazin-1-yl]-1,3-thiazole;4-(4-tert-butylphenyl)-5-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole;4-(4-tert-butylphenyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole;1-[[5-(4-tert-butylphenyl)thiophen-2-yl]methyl]-4,4-difluoropiperidine;1-[[5-(4-tert-butylphenyl)thiophen-2-yl]methyl]-4-fluoropiperidine;4-[[5-(4-tert-butylphenyl)thiophen-2-yl]methyl]morpholine is CC(C)(C)c1ccc(-c2ccc(CN3CCC(F)(F)CC3)s2)cc1.CC(C)(C)c1ccc(-c2ccc(CN3CCC(F)CC3)s2)cc1.CC(C)(C)c1ccc(-c2ccc(CN3CCOCC3)s2)cc1.CCOCN1CCN(c2nc(-c3ccc(C(C)(C)C)cc3)cs2)CC1.CN1CCN(c2nc(-c3ccc(C(C)(C)C)cc3)cs2)CC1.Cc1sc(N2CCN(C)CC2)nc1-c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-(4-tert-butylphenyl)-2-[4-(ethoxymethyl)piperazin-1-yl]-1,3-thiazole;4-(4-tert-butylphenyl)-5-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole;4-(4-tert-butylphenyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole;1-[[5-(4-tert-butylphenyl)thiophen-2-yl]methyl]-4,4-difluoropiperidine;1-[[5-(4-tert-butylphenyl)thiophen-2-yl]methyl]-4-fluoropiperidine;4-[[5-(4-tert-butylphenyl)thiophen-2-yl]methyl]morpholine?
The InChIKey is WDJYOKQXYRFHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F2NS.C20H26FNS.C20H29N3OS.C19H27N3S.C19H25NOS.C18H25N3S/c1-19(2,3)16-6-4-15(5-7-16)18-9-8-17(24-18)14-23-12-10-20(21,22)11-13-23;1-20(2,3)16-6-4-15(5-7-16)19-9-8-18(23-19)14-22-12-10-17(21)11-13-22;1-5-24-15-22-10-12-23(13-11-22)19-21-18(14-25-19)16-6-8-17(9-7-16)20(2,3)4;1-14-17(15-6-8-16(9-7-15)19(2,3)4)20-18(23-14)22-12-10-21(5)11-13-22;1-19(2,3)16-6-4-15(5-7-16)18-9-8-17(22-18)14-20-10-12-21-13-11-20;1-18(2,3)15-7-5-14(6-8-15)16-13-22-17(19-16)21-11-9-20(4)10-12-21/h4-9H,10-14H2,1-3H3;4-9,17H,10-14H2,1-3H3;6-9,14H,5,10-13,15H2,1-4H3;6-9H,10-13H2,1-5H3;4-9H,10-14H2,1-3H3;5-8,13H,9-12H2,1-4H3.
What are the key properties of 4-(4-tert-butylphenyl)-2-[4-(ethoxymethyl)piperazin-1-yl]-1,3-thiazole;4-(4-tert-butylphenyl)-5-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole;4-(4-tert-butylphenyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole;1-[[5-(4-tert-butylphenyl)thiophen-2-yl]methyl]-4,4-difluoropiperidine;1-[[5-(4-tert-butylphenyl)thiophen-2-yl]methyl]-4-fluoropiperidine;4-[[5-(4-tert-butylphenyl)thiophen-2-yl]methyl]morpholine?
4-(4-tert-butylphenyl)-2-[4-(ethoxymethyl)piperazin-1-yl]-1,3-thiazole;4-(4-tert-butylphenyl)-5-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole;4-(4-tert-butylphenyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole;1-[[5-(4-tert-butylphenyl)thiophen-2-yl]methyl]-4,4-difluoropiperidine;1-[[5-(4-tert-butylphenyl)thiophen-2-yl]methyl]-4-fluoropiperidine;4-[[5-(4-tert-butylphenyl)thiophen-2-yl]methyl]morpholine has a molecular weight of 2001.01 g/mol, XLogP of 28.39, 18 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenyl)-2-[4-(ethoxymethyl)piperazin-1-yl]-1,3-thiazole;4-(4-tert-butylphenyl)-5-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole;4-(4-tert-butylphenyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole;1-[[5-(4-tert-butylphenyl)thiophen-2-yl]methyl]-4,4-difluoropiperidine;1-[[5-(4-tert-butylphenyl)thiophen-2-yl]methyl]-4-fluoropiperidine;4-[[5-(4-tert-butylphenyl)thiophen-2-yl]methyl]morpholine is sourced from PubChem (CID 161473466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).