4-[4-(aminomethyl)phenyl]-N-(2-fluorophenyl)-1,3-thiazol-2-amine;bis(4-(3-ethylphenyl)-N-(2-fluorophenyl)-1,3-thiazol-2-amine);4-[4-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]butan-2-one;bis(N-(2-fluorophenyl)-4-(3-methylphenyl)-1,3-thiazol-2-amine)

C101H87F6N13OS6 — CID 158343213

IUPAC4-[4-(aminomethyl)phenyl]-N-(2-fluorophenyl)-1,3-thiazol-2-amine;bis(4-(3-ethylphenyl)-N-(2-fluorophenyl)-1,3-thiazol-2-amine);4-[4-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]butan-2-one;bis(N-(2-fluorophenyl)-4-(3-methylphenyl)-1,3-thiazol-2-amine)
SMILESCC(=O)CCc1ccc(-c2csc(Nc3ccccc3F)n2)cc1.CCc1cccc(-c2csc(Nc3ccccc3F)n2)c1.CCc1cccc(-c2csc(Nc3ccccc3F)n2)c1.Cc1cccc(-c2csc(Nc3ccccc3F)n2)c1.Cc1cccc(-c2csc(Nc3ccccc3F)n2)c1.NCc1ccc(-c2csc(Nc3ccccc3F)n2)cc1
InChIInChI=1S/C19H17FN2OS.2C17H15FN2S.C16H14FN3S.2C16H13FN2S/c1-13(23)6-7-14-8-10-15(11-9-14)18-12-24-19(22-18)21-17-5-3-2-4-16(17)20;2*1-2-12-6-5-7-13(10-12)16-11-21-17(20-16)19-15-9-4-3-8-14(15)18;17-13-3-1-2-4-14(13)19-16-20-15(10-21-16)12-7-5-11(9-18)6-8-12;2*1-11-5-4-6-12(9-11)15-10-20-16(19-15)18-14-8-3-2-7-13(14)17/h2-5,8-12H,6-7H2,1H3,(H,21,22);2*3-11H,2H2,1H3,(H,19,20);1-8,10H,9,18H2,(H,19,20);2*2-10H,1H3,(H,18,19)
InChIKeyGRKGXQNVTBXVKE-UHFFFAOYSA-N
MW1805.29 g/mol
LogP29.88
Rot. Bonds24

About 4-[4-(aminomethyl)phenyl]-N-(2-fluorophenyl)-1,3-thiazol-2-amine;bis(4-(3-ethylphenyl)-N-(2-fluorophenyl)-1,3-thiazol-2-amine);4-[4-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]butan-2-one;bis(N-(2-fluorophenyl)-4-(3-methylphenyl)-1,3-thiazol-2-amine)

4-[4-(aminomethyl)phenyl]-N-(2-fluorophenyl)-1,3-thiazol-2-amine;bis(4-(3-ethylphenyl)-N-(2-fluorophenyl)-1,3-thiazol-2-amine);4-[4-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]butan-2-one;bis(N-(2-fluorophenyl)-4-(3-methylphenyl)-1,3-thiazol-2-amine) (PubChem CID 158343213) has the molecular formula C101H87F6N13OS6 and a molecular weight of 1805.29 g/mol. Its IUPAC name is 4-[4-(aminomethyl)phenyl]-N-(2-fluorophenyl)-1,3-thiazol-2-amine;bis(4-(3-ethylphenyl)-N-(2-fluorophenyl)-1,3-thiazol-2-amine);4-[4-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]butan-2-one;bis(N-(2-fluorophenyl)-4-(3-methylphenyl)-1,3-thiazol-2-amine).

Molecular Properties

Compound Name4-[4-(aminomethyl)phenyl]-N-(2-fluorophenyl)-1,3-thiazol-2-amine;bis(4-(3-ethylphenyl)-N-(2-fluorophenyl)-1,3-thiazol-2-amine);4-[4-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]butan-2-one;bis(N-(2-fluorophenyl)-4-(3-methylphenyl)-1,3-thiazol-2-amine)
PubChem CID158343213
Molecular FormulaC101H87F6N13OS6
Molecular Weight1805.29 g/mol
Exact Mass1803.54
IUPAC Name4-[4-(aminomethyl)phenyl]-N-(2-fluorophenyl)-1,3-thiazol-2-amine;bis(4-(3-ethylphenyl)-N-(2-fluorophenyl)-1,3-thiazol-2-amine);4-[4-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]butan-2-one;bis(N-(2-fluorophenyl)-4-(3-methylphenyl)-1,3-thiazol-2-amine)
SMILESCC(=O)CCc1ccc(-c2csc(Nc3ccccc3F)n2)cc1.CCc1cccc(-c2csc(Nc3ccccc3F)n2)c1.CCc1cccc(-c2csc(Nc3ccccc3F)n2)c1.Cc1cccc(-c2csc(Nc3ccccc3F)n2)c1.Cc1cccc(-c2csc(Nc3ccccc3F)n2)c1.NCc1ccc(-c2csc(Nc3ccccc3F)n2)cc1
InChIInChI=1S/C19H17FN2OS.2C17H15FN2S.C16H14FN3S.2C16H13FN2S/c1-13(23)6-7-14-8-10-15(11-9-14)18-12-24-19(22-18)21-17-5-3-2-4-16(17)20;2*1-2-12-6-5-7-13(10-12)16-11-21-17(20-16)19-15-9-4-3-8-14(15)18;17-13-3-1-2-4-14(13)19-16-20-15(10-21-16)12-7-5-11(9-18)6-8-12;2*1-11-5-4-6-12(9-11)15-10-20-16(19-15)18-14-8-3-2-7-13(14)17/h2-5,8-12H,6-7H2,1H3,(H,21,22);2*3-11H,2H2,1H3,(H,19,20);1-8,10H,9,18H2,(H,19,20);2*2-10H,1H3,(H,18,19)
InChIKeyGRKGXQNVTBXVKE-UHFFFAOYSA-N
XLogP29.88
TPSA192.61 Ų
H-Bond Donors7
H-Bond Acceptors20
Rotatable Bonds24
Heavy Atoms127
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001805.29
LogP ≤ 529.88
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1020

Analyze 4-[4-(aminomethyl)phenyl]-N-(2-fluorophenyl)-1,3-thiazol-2-amine;bis(4-(3-ethylphenyl)-N-(2-fluorophenyl)-1,3-thiazol-2-amine);4-[4-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]butan-2-one;bis(N-(2-fluorophenyl)-4-(3-methylphenyl)-1,3-thiazol-2-amine) with MolForge

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Related Compounds

N-(2-fluorophenyl)-4-(3-methylphenyl)-1,3-thiazol-2-amine
CID 157269328
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)propanamide
CID 18268670
(2S)-2-ethyl-N-[3-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]hexanamide
CID 7415959
3-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]benzonitrile
CID 153365704
[3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine
CID 20983736
N-[4-[4-(4-amino-3-oxobutyl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 86616168
N-(2-fluorophenyl)-4-(3-methoxyphenyl)-1,3-thiazol-2-amine;N-(3-fluorophenyl)-4-(3-methoxyphenyl)-1,3-thiazol-2-amine;N-(2-fluorophenyl)-4-(3-methylphenyl)-1,3-thiazol-2-amine;N-(3-fluorophenyl)-4-(3-methylphenyl)-1,3-thiazol-2-amine;2-(2-fluorophenyl)-4-(3-methylphenyl)-1,3-thiazole;N-(2-fluorophenyl)-4-phenyl-1,3-thiazol-2-amine
CID 158895777
4-[2-(2-ethylanilino)-1,3-thiazol-4-yl]benzene-1,2-diol
CID 2177996
3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 840341
methyl 2-(2-fluoroanilino)-1,3-thiazole-4-carboxylate
CID 115423247
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2,3,4,5-tetrafluorobenzamide
CID 4637733
3-(4-fluorophenyl)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]propanamide
CID 32623275

Frequently Asked Questions

What is the IUPAC name of 4-[4-(aminomethyl)phenyl]-N-(2-fluorophenyl)-1,3-thiazol-2-amine;bis(4-(3-ethylphenyl)-N-(2-fluorophenyl)-1,3-thiazol-2-amine);4-[4-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]butan-2-one;bis(N-(2-fluorophenyl)-4-(3-methylphenyl)-1,3-thiazol-2-amine)?
The IUPAC name of 4-[4-(aminomethyl)phenyl]-N-(2-fluorophenyl)-1,3-thiazol-2-amine;bis(4-(3-ethylphenyl)-N-(2-fluorophenyl)-1,3-thiazol-2-amine);4-[4-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]butan-2-one;bis(N-(2-fluorophenyl)-4-(3-methylphenyl)-1,3-thiazol-2-amine) (CID 158343213) is 4-[4-(aminomethyl)phenyl]-N-(2-fluorophenyl)-1,3-thiazol-2-amine;bis(4-(3-ethylphenyl)-N-(2-fluorophenyl)-1,3-thiazol-2-amine);4-[4-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]butan-2-one;bis(N-(2-fluorophenyl)-4-(3-methylphenyl)-1,3-thiazol-2-amine).
What is the SMILES notation for 4-[4-(aminomethyl)phenyl]-N-(2-fluorophenyl)-1,3-thiazol-2-amine;bis(4-(3-ethylphenyl)-N-(2-fluorophenyl)-1,3-thiazol-2-amine);4-[4-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]butan-2-one;bis(N-(2-fluorophenyl)-4-(3-methylphenyl)-1,3-thiazol-2-amine)?
The canonical SMILES for 4-[4-(aminomethyl)phenyl]-N-(2-fluorophenyl)-1,3-thiazol-2-amine;bis(4-(3-ethylphenyl)-N-(2-fluorophenyl)-1,3-thiazol-2-amine);4-[4-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]butan-2-one;bis(N-(2-fluorophenyl)-4-(3-methylphenyl)-1,3-thiazol-2-amine) is CC(=O)CCc1ccc(-c2csc(Nc3ccccc3F)n2)cc1.CCc1cccc(-c2csc(Nc3ccccc3F)n2)c1.CCc1cccc(-c2csc(Nc3ccccc3F)n2)c1.Cc1cccc(-c2csc(Nc3ccccc3F)n2)c1.Cc1cccc(-c2csc(Nc3ccccc3F)n2)c1.NCc1ccc(-c2csc(Nc3ccccc3F)n2)cc1.
What is the InChIKey of 4-[4-(aminomethyl)phenyl]-N-(2-fluorophenyl)-1,3-thiazol-2-amine;bis(4-(3-ethylphenyl)-N-(2-fluorophenyl)-1,3-thiazol-2-amine);4-[4-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]butan-2-one;bis(N-(2-fluorophenyl)-4-(3-methylphenyl)-1,3-thiazol-2-amine)?
The InChIKey is GRKGXQNVTBXVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2OS.2C17H15FN2S.C16H14FN3S.2C16H13FN2S/c1-13(23)6-7-14-8-10-15(11-9-14)18-12-24-19(22-18)21-17-5-3-2-4-16(17)20;2*1-2-12-6-5-7-13(10-12)16-11-21-17(20-16)19-15-9-4-3-8-14(15)18;17-13-3-1-2-4-14(13)19-16-20-15(10-21-16)12-7-5-11(9-18)6-8-12;2*1-11-5-4-6-12(9-11)15-10-20-16(19-15)18-14-8-3-2-7-13(14)17/h2-5,8-12H,6-7H2,1H3,(H,21,22);2*3-11H,2H2,1H3,(H,19,20);1-8,10H,9,18H2,(H,19,20);2*2-10H,1H3,(H,18,19).
What are the key properties of 4-[4-(aminomethyl)phenyl]-N-(2-fluorophenyl)-1,3-thiazol-2-amine;bis(4-(3-ethylphenyl)-N-(2-fluorophenyl)-1,3-thiazol-2-amine);4-[4-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]butan-2-one;bis(N-(2-fluorophenyl)-4-(3-methylphenyl)-1,3-thiazol-2-amine)?
4-[4-(aminomethyl)phenyl]-N-(2-fluorophenyl)-1,3-thiazol-2-amine;bis(4-(3-ethylphenyl)-N-(2-fluorophenyl)-1,3-thiazol-2-amine);4-[4-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]butan-2-one;bis(N-(2-fluorophenyl)-4-(3-methylphenyl)-1,3-thiazol-2-amine) has a molecular weight of 1805.29 g/mol, XLogP of 29.88, 24 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(aminomethyl)phenyl]-N-(2-fluorophenyl)-1,3-thiazol-2-amine;bis(4-(3-ethylphenyl)-N-(2-fluorophenyl)-1,3-thiazol-2-amine);4-[4-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]butan-2-one;bis(N-(2-fluorophenyl)-4-(3-methylphenyl)-1,3-thiazol-2-amine) is sourced from PubChem (CID 158343213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).