5-(3,4-dimethylphenyl)-N,N,4-trimethyl-1,3-thiazol-2-amine;5-(3-fluorophenyl)-N,N,4-trimethyl-1,3-thiazol-2-amine;5-(4-fluorophenyl)-N,N,4-trimethyl-1,3-thiazol-2-amine;5-(3-methoxyphenyl)-N,N,4-trimethyl-1,3-thiazol-2-amine

C51H60F2N8OS4 — CID 161278841

IUPAC5-(3,4-dimethylphenyl)-N,N,4-trimethyl-1,3-thiazol-2-amine;5-(3-fluorophenyl)-N,N,4-trimethyl-1,3-thiazol-2-amine;5-(4-fluorophenyl)-N,N,4-trimethyl-1,3-thiazol-2-amine;5-(3-methoxyphenyl)-N,N,4-trimethyl-1,3-thiazol-2-amine
SMILESCOc1cccc(-c2sc(N(C)C)nc2C)c1.Cc1ccc(-c2sc(N(C)C)nc2C)cc1C.Cc1nc(N(C)C)sc1-c1ccc(F)cc1.Cc1nc(N(C)C)sc1-c1cccc(F)c1
InChIInChI=1S/C14H18N2S.C13H16N2OS.2C12H13FN2S/c1-9-6-7-12(8-10(9)2)13-11(3)15-14(17-13)16(4)5;1-9-12(17-13(14-9)15(2)3)10-6-5-7-11(8-10)16-4;1-8-11(16-12(14-8)15(2)3)9-4-6-10(13)7-5-9;1-8-11(16-12(14-8)15(2)3)9-5-4-6-10(13)7-9/h6-8H,1-5H3;5-8H,1-4H3;2*4-7H,1-3H3
InChIKeyVEUOPRISLHBCAY-UHFFFAOYSA-N
MW967.36 g/mol
LogP13.64
Rot. Bonds9

About 5-(3,4-dimethylphenyl)-N,N,4-trimethyl-1,3-thiazol-2-amine;5-(3-fluorophenyl)-N,N,4-trimethyl-1,3-thiazol-2-amine;5-(4-fluorophenyl)-N,N,4-trimethyl-1,3-thiazol-2-amine;5-(3-methoxyphenyl)-N,N,4-trimethyl-1,3-thiazol-2-amine

5-(3,4-dimethylphenyl)-N,N,4-trimethyl-1,3-thiazol-2-amine;5-(3-fluorophenyl)-N,N,4-trimethyl-1,3-thiazol-2-amine;5-(4-fluorophenyl)-N,N,4-trimethyl-1,3-thiazol-2-amine;5-(3-methoxyphenyl)-N,N,4-trimethyl-1,3-thiazol-2-amine (PubChem CID 161278841) has the molecular formula C51H60F2N8OS4 and a molecular weight of 967.36 g/mol. Its IUPAC name is 5-(3,4-dimethylphenyl)-N,N,4-trimethyl-1,3-thiazol-2-amine;5-(3-fluorophenyl)-N,N,4-trimethyl-1,3-thiazol-2-amine;5-(4-fluorophenyl)-N,N,4-trimethyl-1,3-thiazol-2-amine;5-(3-methoxyphenyl)-N,N,4-trimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(3,4-dimethylphenyl)-N,N,4-trimethyl-1,3-thiazol-2-amine;5-(3-fluorophenyl)-N,N,4-trimethyl-1,3-thiazol-2-amine;5-(4-fluorophenyl)-N,N,4-trimethyl-1,3-thiazol-2-amine;5-(3-methoxyphenyl)-N,N,4-trimethyl-1,3-thiazol-2-amine
PubChem CID161278841
Molecular FormulaC51H60F2N8OS4
Molecular Weight967.36 g/mol
Exact Mass966.37
IUPAC Name5-(3,4-dimethylphenyl)-N,N,4-trimethyl-1,3-thiazol-2-amine;5-(3-fluorophenyl)-N,N,4-trimethyl-1,3-thiazol-2-amine;5-(4-fluorophenyl)-N,N,4-trimethyl-1,3-thiazol-2-amine;5-(3-methoxyphenyl)-N,N,4-trimethyl-1,3-thiazol-2-amine
SMILESCOc1cccc(-c2sc(N(C)C)nc2C)c1.Cc1ccc(-c2sc(N(C)C)nc2C)cc1C.Cc1nc(N(C)C)sc1-c1ccc(F)cc1.Cc1nc(N(C)C)sc1-c1cccc(F)c1
InChIInChI=1S/C14H18N2S.C13H16N2OS.2C12H13FN2S/c1-9-6-7-12(8-10(9)2)13-11(3)15-14(17-13)16(4)5;1-9-12(17-13(14-9)15(2)3)10-6-5-7-11(8-10)16-4;1-8-11(16-12(14-8)15(2)3)9-4-6-10(13)7-5-9;1-8-11(16-12(14-8)15(2)3)9-5-4-6-10(13)7-9/h6-8H,1-5H3;5-8H,1-4H3;2*4-7H,1-3H3
InChIKeyVEUOPRISLHBCAY-UHFFFAOYSA-N
XLogP13.64
TPSA73.75 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds9
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500967.36
LogP ≤ 513.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 5-(3,4-dimethylphenyl)-N,N,4-trimethyl-1,3-thiazol-2-amine;5-(3-fluorophenyl)-N,N,4-trimethyl-1,3-thiazol-2-amine;5-(4-fluorophenyl)-N,N,4-trimethyl-1,3-thiazol-2-amine;5-(3-methoxyphenyl)-N,N,4-trimethyl-1,3-thiazol-2-amine with MolForge

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Related Compounds

5-(3-chlorophenyl)-2,4-dimethyl-1,3-thiazole;2-cyclopropyl-5-(3-fluorophenyl)-4-methyl-1,3-thiazole;5-(2,3-difluoro-4-methylphenyl)-2,4-dimethyl-1,3-thiazole;5-(3,4-difluorophenyl)-2,4-dimethyl-1,3-thiazole;2,4-dimethyl-5-(3-methylphenyl)-1,3-thiazole;2,4-dimethyl-5-phenyl-1,3-thiazole;2,4-dimethyl-5-[4-(trifluoromethyl)phenyl]-1,3-thiazole;5-(3-fluoro-4-methylphenyl)-2,4-dimethyl-1,3-thiazole;5-(3-fluorophenyl)-2,4-dimethyl-1,3-thiazole;5-(4-fluorophenyl)-2,4-dimethyl-1,3-thiazole;5-(3-methoxyphenyl)-2,4-dimethyl-1,3-thiazole;N,N,4-trimethyl-5-(3-methylphenyl)-1,3-thiazol-2-amine
CID 159999162
2-(3,4-Dimethylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(2-fluoro-3-methylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(2-fluoro-5-methylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(3-methoxyphenyl)-4-methyl-5-(4-methylphenyl)-1,3-thiazole
CID 159111861

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylphenyl)-N,N,4-trimethyl-1,3-thiazol-2-amine;5-(3-fluorophenyl)-N,N,4-trimethyl-1,3-thiazol-2-amine;5-(4-fluorophenyl)-N,N,4-trimethyl-1,3-thiazol-2-amine;5-(3-methoxyphenyl)-N,N,4-trimethyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(3,4-dimethylphenyl)-N,N,4-trimethyl-1,3-thiazol-2-amine;5-(3-fluorophenyl)-N,N,4-trimethyl-1,3-thiazol-2-amine;5-(4-fluorophenyl)-N,N,4-trimethyl-1,3-thiazol-2-amine;5-(3-methoxyphenyl)-N,N,4-trimethyl-1,3-thiazol-2-amine (CID 161278841) is 5-(3,4-dimethylphenyl)-N,N,4-trimethyl-1,3-thiazol-2-amine;5-(3-fluorophenyl)-N,N,4-trimethyl-1,3-thiazol-2-amine;5-(4-fluorophenyl)-N,N,4-trimethyl-1,3-thiazol-2-amine;5-(3-methoxyphenyl)-N,N,4-trimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(3,4-dimethylphenyl)-N,N,4-trimethyl-1,3-thiazol-2-amine;5-(3-fluorophenyl)-N,N,4-trimethyl-1,3-thiazol-2-amine;5-(4-fluorophenyl)-N,N,4-trimethyl-1,3-thiazol-2-amine;5-(3-methoxyphenyl)-N,N,4-trimethyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(3,4-dimethylphenyl)-N,N,4-trimethyl-1,3-thiazol-2-amine;5-(3-fluorophenyl)-N,N,4-trimethyl-1,3-thiazol-2-amine;5-(4-fluorophenyl)-N,N,4-trimethyl-1,3-thiazol-2-amine;5-(3-methoxyphenyl)-N,N,4-trimethyl-1,3-thiazol-2-amine is COc1cccc(-c2sc(N(C)C)nc2C)c1.Cc1ccc(-c2sc(N(C)C)nc2C)cc1C.Cc1nc(N(C)C)sc1-c1ccc(F)cc1.Cc1nc(N(C)C)sc1-c1cccc(F)c1.
What is the InChIKey of 5-(3,4-dimethylphenyl)-N,N,4-trimethyl-1,3-thiazol-2-amine;5-(3-fluorophenyl)-N,N,4-trimethyl-1,3-thiazol-2-amine;5-(4-fluorophenyl)-N,N,4-trimethyl-1,3-thiazol-2-amine;5-(3-methoxyphenyl)-N,N,4-trimethyl-1,3-thiazol-2-amine?
The InChIKey is VEUOPRISLHBCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S.C13H16N2OS.2C12H13FN2S/c1-9-6-7-12(8-10(9)2)13-11(3)15-14(17-13)16(4)5;1-9-12(17-13(14-9)15(2)3)10-6-5-7-11(8-10)16-4;1-8-11(16-12(14-8)15(2)3)9-4-6-10(13)7-5-9;1-8-11(16-12(14-8)15(2)3)9-5-4-6-10(13)7-9/h6-8H,1-5H3;5-8H,1-4H3;2*4-7H,1-3H3.
What are the key properties of 5-(3,4-dimethylphenyl)-N,N,4-trimethyl-1,3-thiazol-2-amine;5-(3-fluorophenyl)-N,N,4-trimethyl-1,3-thiazol-2-amine;5-(4-fluorophenyl)-N,N,4-trimethyl-1,3-thiazol-2-amine;5-(3-methoxyphenyl)-N,N,4-trimethyl-1,3-thiazol-2-amine?
5-(3,4-dimethylphenyl)-N,N,4-trimethyl-1,3-thiazol-2-amine;5-(3-fluorophenyl)-N,N,4-trimethyl-1,3-thiazol-2-amine;5-(4-fluorophenyl)-N,N,4-trimethyl-1,3-thiazol-2-amine;5-(3-methoxyphenyl)-N,N,4-trimethyl-1,3-thiazol-2-amine has a molecular weight of 967.36 g/mol, XLogP of 13.64, 9 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylphenyl)-N,N,4-trimethyl-1,3-thiazol-2-amine;5-(3-fluorophenyl)-N,N,4-trimethyl-1,3-thiazol-2-amine;5-(4-fluorophenyl)-N,N,4-trimethyl-1,3-thiazol-2-amine;5-(3-methoxyphenyl)-N,N,4-trimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 161278841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).