4-(5-tert-butylthiadiazol-4-yl)aniline;hexakis(2,2-dimethylpropane);1-(4-ethylphenyl)imidazole;[4-(furan-2-yl)phenyl]methanamine;4-imidazol-1-ylphenol;1-(4-imidazol-1-ylphenyl)-N-methylmethanamine;(4-pyrrol-1-ylphenyl)methanamine;(4-thiophen-2-ylphenyl)methanamine

C106H154N14O2S2 — CID 160885298

IUPAC4-(5-tert-butylthiadiazol-4-yl)aniline;hexakis(2,2-dimethylpropane);1-(4-ethylphenyl)imidazole;[4-(furan-2-yl)phenyl]methanamine;4-imidazol-1-ylphenol;1-(4-imidazol-1-ylphenyl)-N-methylmethanamine;(4-pyrrol-1-ylphenyl)methanamine;(4-thiophen-2-ylphenyl)methanamine
SMILESCC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1snnc1-c1ccc(N)cc1.CCc1ccc(-n2ccnc2)cc1.CNCc1ccc(-n2ccnc2)cc1.NCc1ccc(-c2ccco2)cc1.NCc1ccc(-c2cccs2)cc1.NCc1ccc(-n2cccc2)cc1.Oc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C12H15N3S.C11H13N3.2C11H12N2.C11H11NO.C11H11NS.C9H8N2O.6C5H12/c1-12(2,3)11-10(14-15-16-11)8-4-6-9(13)7-5-8;1-12-8-10-2-4-11(5-3-10)14-7-6-13-9-14;1-2-10-3-5-11(6-4-10)13-8-7-12-9-13;12-9-10-3-5-11(6-4-10)13-7-1-2-8-13;2*12-8-9-3-5-10(6-4-9)11-2-1-7-13-11;12-9-3-1-8(2-4-9)11-6-5-10-7-11;6*1-5(2,3)4/h4-7H,13H2,1-3H3;2-7,9,12H,8H2,1H3;3-9H,2H2,1H3;1-8H,9,12H2;2*1-7H,8,12H2;1-7,12H;6*1-4H3
InChIKeySNOCJWIIORTJMZ-UHFFFAOYSA-N
MW1720.63 g/mol
LogP28.22
Rot. Bonds13

About 4-(5-tert-butylthiadiazol-4-yl)aniline;hexakis(2,2-dimethylpropane);1-(4-ethylphenyl)imidazole;[4-(furan-2-yl)phenyl]methanamine;4-imidazol-1-ylphenol;1-(4-imidazol-1-ylphenyl)-N-methylmethanamine;(4-pyrrol-1-ylphenyl)methanamine;(4-thiophen-2-ylphenyl)methanamine

4-(5-tert-butylthiadiazol-4-yl)aniline;hexakis(2,2-dimethylpropane);1-(4-ethylphenyl)imidazole;[4-(furan-2-yl)phenyl]methanamine;4-imidazol-1-ylphenol;1-(4-imidazol-1-ylphenyl)-N-methylmethanamine;(4-pyrrol-1-ylphenyl)methanamine;(4-thiophen-2-ylphenyl)methanamine (PubChem CID 160885298) has the molecular formula C106H154N14O2S2 and a molecular weight of 1720.63 g/mol. Its IUPAC name is 4-(5-tert-butylthiadiazol-4-yl)aniline;hexakis(2,2-dimethylpropane);1-(4-ethylphenyl)imidazole;[4-(furan-2-yl)phenyl]methanamine;4-imidazol-1-ylphenol;1-(4-imidazol-1-ylphenyl)-N-methylmethanamine;(4-pyrrol-1-ylphenyl)methanamine;(4-thiophen-2-ylphenyl)methanamine.

Molecular Properties

Compound Name4-(5-tert-butylthiadiazol-4-yl)aniline;hexakis(2,2-dimethylpropane);1-(4-ethylphenyl)imidazole;[4-(furan-2-yl)phenyl]methanamine;4-imidazol-1-ylphenol;1-(4-imidazol-1-ylphenyl)-N-methylmethanamine;(4-pyrrol-1-ylphenyl)methanamine;(4-thiophen-2-ylphenyl)methanamine
PubChem CID160885298
Molecular FormulaC106H154N14O2S2
Molecular Weight1720.63 g/mol
Exact Mass1719.18
IUPAC Name4-(5-tert-butylthiadiazol-4-yl)aniline;hexakis(2,2-dimethylpropane);1-(4-ethylphenyl)imidazole;[4-(furan-2-yl)phenyl]methanamine;4-imidazol-1-ylphenol;1-(4-imidazol-1-ylphenyl)-N-methylmethanamine;(4-pyrrol-1-ylphenyl)methanamine;(4-thiophen-2-ylphenyl)methanamine
SMILESCC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1snnc1-c1ccc(N)cc1.CCc1ccc(-n2ccnc2)cc1.CNCc1ccc(-n2ccnc2)cc1.NCc1ccc(-c2ccco2)cc1.NCc1ccc(-c2cccs2)cc1.NCc1ccc(-n2cccc2)cc1.Oc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C12H15N3S.C11H13N3.2C11H12N2.C11H11NO.C11H11NS.C9H8N2O.6C5H12/c1-12(2,3)11-10(14-15-16-11)8-4-6-9(13)7-5-8;1-12-8-10-2-4-11(5-3-10)14-7-6-13-9-14;1-2-10-3-5-11(6-4-10)13-8-7-12-9-13;12-9-10-3-5-11(6-4-10)13-7-1-2-8-13;2*12-8-9-3-5-10(6-4-9)11-2-1-7-13-11;12-9-3-1-8(2-4-9)11-6-5-10-7-11;6*1-5(2,3)4/h4-7H,13H2,1-3H3;2-7,9,12H,8H2,1H3;3-9H,2H2,1H3;1-8H,9,12H2;2*1-7H,8,12H2;1-7,12H;6*1-4H3
InChIKeySNOCJWIIORTJMZ-UHFFFAOYSA-N
XLogP28.22
TPSA233.65 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds13
Heavy Atoms124
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001720.63
LogP ≤ 528.22
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 4-(5-tert-butylthiadiazol-4-yl)aniline;hexakis(2,2-dimethylpropane);1-(4-ethylphenyl)imidazole;[4-(furan-2-yl)phenyl]methanamine;4-imidazol-1-ylphenol;1-(4-imidazol-1-ylphenyl)-N-methylmethanamine;(4-pyrrol-1-ylphenyl)methanamine;(4-thiophen-2-ylphenyl)methanamine with MolForge

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Related Compounds

1-(2-fluorophenyl)sulfonyl-3-[(1S)-1-[1-(4-methoxyphenyl)imidazol-2-yl]-2-phenylethyl]urea;1-[(1S)-1-[1-[4-(furan-3-yl)phenyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-[(1S)-1-[1-[4-(2-methylfuran-3-yl)phenyl]imidazol-2-yl]-2-phenylethyl]-3-(2-methylphenyl)sulfonylurea;1-(2-methylphenyl)sulfonyl-3-[(1S)-1-[1-[4-(1-methylpyrazol-4-yl)phenyl]imidazol-2-yl]-2-phenylethyl]urea;1-(2-methylphenyl)sulfonyl-3-[(1S)-2-phenyl-1-[1-(4-thiophen-3-ylphenyl)imidazol-2-yl]ethyl]urea
CID 157452875
Bis(tert-butylbenzene);5-tert-butyl-2-but-1-ynylpyridine;2-tert-butylfuran;1-tert-butylimidazole;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylphenol;tris(5-tert-butyl-2-methylpyridine);bis(3-tert-butyl-1-methylpyrrole);1-tert-butyl-4-prop-1-en-2-ylbenzene;3-tert-butylpyridine;5-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;2-tert-butylthiophene;1-(3-tert-butylthiophen-2-yl)ethanone;1-tert-butyltriazole
CID 158759698
tert-butylbenzene;bis(2-tert-butylcyclopenta-1,3-diene);4-tert-butyl-N,N-dimethylaniline;2-tert-butyl-1,3-dimethylpyrrole;2-tert-butylfuran;2-tert-butyl-1H-imidazole;tetrakis(1-tert-butyl-4-methylbenzene);bis(2-tert-butyl-5-methylfuran);2-tert-butyl-3-methylthiophene;tris(2-tert-butyl-5-methylthiophene);2-tert-butyl-1,3-thiazole
CID 159172132
Bis(tert-butylbenzene);5-tert-butyl-2-but-1-ynylpyridine;2-tert-butylfuran;1-tert-butylimidazole;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylphenol;4-tert-butyl-1-methylpyrazole;tris(5-tert-butyl-2-methylpyridine);3-tert-butyl-1-methylpyrrole;1-tert-butyl-4-prop-1-en-2-ylbenzene;3-tert-butylpyridine;5-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;2-tert-butylthiophene;1-(3-tert-butylthiophen-2-yl)ethanone;1-tert-butyltriazole
CID 160035308
2-tert-butylfuran;5-tert-butyl-2-methyl-1H-imidazole;2-tert-butyl-5-methylthiophene;2-tert-butyl-4-phenyl-1,3-thiazole;2-tert-butyl-5-propan-2-ylfuran;2-tert-butyl-1H-pyrrole;2-tert-butylthiophene;1,2-dimethyl-5-propan-2-ylimidazole;2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)thiophene;2-methyl-5-propan-2-ylfuran;2-methyl-5-propan-2-yl-1H-pyrrole;5-(6-methyl-3-pyridinyl)-2-propan-2-yl-1,3-thiazole;5-phenyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-5-pyridin-4-yl-1,3-thiazole
CID 160634684
bis(tert-butylbenzene);bis(2-tert-butylcyclopenta-1,3-diene);4-tert-butyl-N,N-dimethylaniline;2-tert-butyl-1,3-dimethylpyrrole;2-tert-butylfuran;2-tert-butyl-1H-imidazole;tetrakis(1-tert-butyl-4-methylbenzene);tris(2-tert-butyl-5-methylfuran);2-tert-butyl-3-methylthiophene;bis(2-tert-butyl-5-methylthiophene);2-tert-butyl-1,3-thiazole
CID 161252714
bis(tert-butylbenzene);bis(2-tert-butylcyclopenta-1,3-diene);4-tert-butyl-N,N-dimethylaniline;2-tert-butyl-1,3-dimethylpyrrole;2-tert-butylfuran;2-tert-butyl-1H-imidazole;tris(1-tert-butyl-4-methylbenzene);tris(2-tert-butyl-5-methylfuran);2-tert-butyl-3-methylthiophene;bis(2-tert-butyl-5-methylthiophene);1-tert-butyl-4-nitrobenzene;2-tert-butyl-1,3-thiazole;methane
CID 162079155
2-bromo-5-tert-butylfuran;bis(tert-butylbenzene);bis(2-tert-butylcyclopenta-1,3-diene);4-tert-butyl-N,N-dimethylaniline;2-tert-butyl-1,3-dimethylpyrrole;2-tert-butylfuran;2-tert-butyl-1H-imidazole;tetrakis(1-tert-butyl-4-methylbenzene);bis(2-tert-butyl-5-methylfuran);2-tert-butyl-3-methylthiophene;bis(2-tert-butyl-5-methylthiophene);2-tert-butyl-1,3-thiazole
CID 163989501

Frequently Asked Questions

What is the IUPAC name of 4-(5-tert-butylthiadiazol-4-yl)aniline;hexakis(2,2-dimethylpropane);1-(4-ethylphenyl)imidazole;[4-(furan-2-yl)phenyl]methanamine;4-imidazol-1-ylphenol;1-(4-imidazol-1-ylphenyl)-N-methylmethanamine;(4-pyrrol-1-ylphenyl)methanamine;(4-thiophen-2-ylphenyl)methanamine?
The IUPAC name of 4-(5-tert-butylthiadiazol-4-yl)aniline;hexakis(2,2-dimethylpropane);1-(4-ethylphenyl)imidazole;[4-(furan-2-yl)phenyl]methanamine;4-imidazol-1-ylphenol;1-(4-imidazol-1-ylphenyl)-N-methylmethanamine;(4-pyrrol-1-ylphenyl)methanamine;(4-thiophen-2-ylphenyl)methanamine (CID 160885298) is 4-(5-tert-butylthiadiazol-4-yl)aniline;hexakis(2,2-dimethylpropane);1-(4-ethylphenyl)imidazole;[4-(furan-2-yl)phenyl]methanamine;4-imidazol-1-ylphenol;1-(4-imidazol-1-ylphenyl)-N-methylmethanamine;(4-pyrrol-1-ylphenyl)methanamine;(4-thiophen-2-ylphenyl)methanamine.
What is the SMILES notation for 4-(5-tert-butylthiadiazol-4-yl)aniline;hexakis(2,2-dimethylpropane);1-(4-ethylphenyl)imidazole;[4-(furan-2-yl)phenyl]methanamine;4-imidazol-1-ylphenol;1-(4-imidazol-1-ylphenyl)-N-methylmethanamine;(4-pyrrol-1-ylphenyl)methanamine;(4-thiophen-2-ylphenyl)methanamine?
The canonical SMILES for 4-(5-tert-butylthiadiazol-4-yl)aniline;hexakis(2,2-dimethylpropane);1-(4-ethylphenyl)imidazole;[4-(furan-2-yl)phenyl]methanamine;4-imidazol-1-ylphenol;1-(4-imidazol-1-ylphenyl)-N-methylmethanamine;(4-pyrrol-1-ylphenyl)methanamine;(4-thiophen-2-ylphenyl)methanamine is CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1snnc1-c1ccc(N)cc1.CCc1ccc(-n2ccnc2)cc1.CNCc1ccc(-n2ccnc2)cc1.NCc1ccc(-c2ccco2)cc1.NCc1ccc(-c2cccs2)cc1.NCc1ccc(-n2cccc2)cc1.Oc1ccc(-n2ccnc2)cc1.
What is the InChIKey of 4-(5-tert-butylthiadiazol-4-yl)aniline;hexakis(2,2-dimethylpropane);1-(4-ethylphenyl)imidazole;[4-(furan-2-yl)phenyl]methanamine;4-imidazol-1-ylphenol;1-(4-imidazol-1-ylphenyl)-N-methylmethanamine;(4-pyrrol-1-ylphenyl)methanamine;(4-thiophen-2-ylphenyl)methanamine?
The InChIKey is SNOCJWIIORTJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S.C11H13N3.2C11H12N2.C11H11NO.C11H11NS.C9H8N2O.6C5H12/c1-12(2,3)11-10(14-15-16-11)8-4-6-9(13)7-5-8;1-12-8-10-2-4-11(5-3-10)14-7-6-13-9-14;1-2-10-3-5-11(6-4-10)13-8-7-12-9-13;12-9-10-3-5-11(6-4-10)13-7-1-2-8-13;2*12-8-9-3-5-10(6-4-9)11-2-1-7-13-11;12-9-3-1-8(2-4-9)11-6-5-10-7-11;6*1-5(2,3)4/h4-7H,13H2,1-3H3;2-7,9,12H,8H2,1H3;3-9H,2H2,1H3;1-8H,9,12H2;2*1-7H,8,12H2;1-7,12H;6*1-4H3.
What are the key properties of 4-(5-tert-butylthiadiazol-4-yl)aniline;hexakis(2,2-dimethylpropane);1-(4-ethylphenyl)imidazole;[4-(furan-2-yl)phenyl]methanamine;4-imidazol-1-ylphenol;1-(4-imidazol-1-ylphenyl)-N-methylmethanamine;(4-pyrrol-1-ylphenyl)methanamine;(4-thiophen-2-ylphenyl)methanamine?
4-(5-tert-butylthiadiazol-4-yl)aniline;hexakis(2,2-dimethylpropane);1-(4-ethylphenyl)imidazole;[4-(furan-2-yl)phenyl]methanamine;4-imidazol-1-ylphenol;1-(4-imidazol-1-ylphenyl)-N-methylmethanamine;(4-pyrrol-1-ylphenyl)methanamine;(4-thiophen-2-ylphenyl)methanamine has a molecular weight of 1720.63 g/mol, XLogP of 28.22, 13 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-tert-butylthiadiazol-4-yl)aniline;hexakis(2,2-dimethylpropane);1-(4-ethylphenyl)imidazole;[4-(furan-2-yl)phenyl]methanamine;4-imidazol-1-ylphenol;1-(4-imidazol-1-ylphenyl)-N-methylmethanamine;(4-pyrrol-1-ylphenyl)methanamine;(4-thiophen-2-ylphenyl)methanamine is sourced from PubChem (CID 160885298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).