N-[[3-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide;bis(N-(2-fluorophenyl)-4-(3-methylphenyl)-1,3-thiazol-2-amine);2-(2-fluorophenyl)-4-(2-methylphenyl)-1,3-thiazole;2-(2-fluorophenyl)-4-phenyl-1,3-thiazole;4-(3-methylphenyl)-N-phenyl-1,3-thiazol-2-amine

C97H78F5N11OS6 — CID 158301950

About N-[[3-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide;bis(N-(2-fluorophenyl)-4-(3-methylphenyl)-1,3-thiazol-2-amine);2-(2-fluorophenyl)-4-(2-methylphenyl)-1,3-thiazole;2-(2-fluorophenyl)-4-phenyl-1,3-thiazole;4-(3-methylphenyl)-N-phenyl-1,3-thiazol-2-amine

N-[[3-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide;bis(N-(2-fluorophenyl)-4-(3-methylphenyl)-1,3-thiazol-2-amine);2-(2-fluorophenyl)-4-(2-methylphenyl)-1,3-thiazole;2-(2-fluorophenyl)-4-phenyl-1,3-thiazole;4-(3-methylphenyl)-N-phenyl-1,3-thiazol-2-amine (PubChem CID 158301950) has the molecular formula C97H78F5N11OS6 and a molecular weight of 1701.16 g/mol. Its IUPAC name is N-[[3-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide;bis(N-(2-fluorophenyl)-4-(3-methylphenyl)-1,3-thiazol-2-amine);2-(2-fluorophenyl)-4-(2-methylphenyl)-1,3-thiazole;2-(2-fluorophenyl)-4-phenyl-1,3-thiazole;4-(3-methylphenyl)-N-phenyl-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: N-[[3-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide;bis(N-(2-fluorophenyl)-4-(3-methylphenyl)-1,3-thiazol-2-amine);2-(2-fluorophenyl)-4-(2-methylphenyl)-1,3-thiazole;2-(2-fluorophenyl)-4-phenyl-1,3-thiazole;4-(3-methylphenyl)-N-phenyl-1,3-thiazol-2-amine
• PubChem CID: 158301950
• Molecular Formula: C97H78F5N11OS6
• Molecular Weight: 1701.16 g/mol
• Exact Mass: 1699.46
• IUPAC Name: N-[[3-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide;bis(N-(2-fluorophenyl)-4-(3-methylphenyl)-1,3-thiazol-2-amine);2-(2-fluorophenyl)-4-(2-methylphenyl)-1,3-thiazole;2-(2-fluorophenyl)-4-phenyl-1,3-thiazole;4-(3-methylphenyl)-N-phenyl-1,3-thiazol-2-amine
• SMILES: CC(=O)NCc1cccc(-c2csc(Nc3ccccc3F)n2)c1.Cc1cccc(-c2csc(Nc3ccccc3)n2)c1.Cc1cccc(-c2csc(Nc3ccccc3F)n2)c1.Cc1cccc(-c2csc(Nc3ccccc3F)n2)c1.Cc1ccccc1-c1csc(-c2ccccc2F)n1.Fc1ccccc1-c1nc(-c2ccccc2)cs1
• InChI: InChI=1S/C18H16FN3OS.2C16H13FN2S.C16H12FNS.C16H14N2S.C15H10FNS/c1-12(23)20-10-13-5-4-6-14(9-13)17-11-24-18(22-17)21-16-8-3-2-7-15(16)19;2*1-11-5-4-6-12(9-11)15-10-20-16(19-15)18-14-8-3-2-7-13(14)17;1-11-6-2-3-7-12(11)15-10-19-16(18-15)13-8-4-5-9-14(13)17;1-12-6-5-7-13(10-12)15-11-19-16(18-15)17-14-8-3-2-4-9-14;16-13-9-5-4-8-12(13)15-17-14(10-18-15)11-6-2-1-3-7-11/h2-9,11H,10H2,1H3,(H,20,23)(H,21,22);2*2-10H,1H3,(H,18,19);2-10H,1H3;2-11H,1H3,(H,17,18);1-10H
• InChIKey: GMPGSODPRUKUBN-UHFFFAOYSA-N
• XLogP: 28.73
• TPSA: 154.56 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 17
• Rotatable Bonds: 18
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1701.16
LogP ≤ 5	28.73
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide;bis(N-(2-fluorophenyl)-4-(3-methylphenyl)-1,3-thiazol-2-amine);2-(2-fluorophenyl)-4-(2-methylphenyl)-1,3-thiazole;2-(2-fluorophenyl)-4-phenyl-1,3-thiazole;4-(3-methylphenyl)-N-phenyl-1,3-thiazol-2-amine?

The IUPAC name of N-[[3-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide;bis(N-(2-fluorophenyl)-4-(3-methylphenyl)-1,3-thiazol-2-amine);2-(2-fluorophenyl)-4-(2-methylphenyl)-1,3-thiazole;2-(2-fluorophenyl)-4-phenyl-1,3-thiazole;4-(3-methylphenyl)-N-phenyl-1,3-thiazol-2-amine (CID 158301950) is N-[[3-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide;bis(N-(2-fluorophenyl)-4-(3-methylphenyl)-1,3-thiazol-2-amine);2-(2-fluorophenyl)-4-(2-methylphenyl)-1,3-thiazole;2-(2-fluorophenyl)-4-phenyl-1,3-thiazole;4-(3-methylphenyl)-N-phenyl-1,3-thiazol-2-amine.

What is the SMILES notation for N-[[3-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide;bis(N-(2-fluorophenyl)-4-(3-methylphenyl)-1,3-thiazol-2-amine);2-(2-fluorophenyl)-4-(2-methylphenyl)-1,3-thiazole;2-(2-fluorophenyl)-4-phenyl-1,3-thiazole;4-(3-methylphenyl)-N-phenyl-1,3-thiazol-2-amine?

The canonical SMILES for N-[[3-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide;bis(N-(2-fluorophenyl)-4-(3-methylphenyl)-1,3-thiazol-2-amine);2-(2-fluorophenyl)-4-(2-methylphenyl)-1,3-thiazole;2-(2-fluorophenyl)-4-phenyl-1,3-thiazole;4-(3-methylphenyl)-N-phenyl-1,3-thiazol-2-amine is CC(=O)NCc1cccc(-c2csc(Nc3ccccc3F)n2)c1.Cc1cccc(-c2csc(Nc3ccccc3)n2)c1.Cc1cccc(-c2csc(Nc3ccccc3F)n2)c1.Cc1cccc(-c2csc(Nc3ccccc3F)n2)c1.Cc1ccccc1-c1csc(-c2ccccc2F)n1.Fc1ccccc1-c1nc(-c2ccccc2)cs1.

What is the InChIKey of N-[[3-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide;bis(N-(2-fluorophenyl)-4-(3-methylphenyl)-1,3-thiazol-2-amine);2-(2-fluorophenyl)-4-(2-methylphenyl)-1,3-thiazole;2-(2-fluorophenyl)-4-phenyl-1,3-thiazole;4-(3-methylphenyl)-N-phenyl-1,3-thiazol-2-amine?

The InChIKey is GMPGSODPRUKUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3OS.2C16H13FN2S.C16H12FNS.C16H14N2S.C15H10FNS/c1-12(23)20-10-13-5-4-6-14(9-13)17-11-24-18(22-17)21-16-8-3-2-7-15(16)19;2*1-11-5-4-6-12(9-11)15-10-20-16(19-15)18-14-8-3-2-7-13(14)17;1-11-6-2-3-7-12(11)15-10-19-16(18-15)13-8-4-5-9-14(13)17;1-12-6-5-7-13(10-12)15-11-19-16(18-15)17-14-8-3-2-4-9-14;16-13-9-5-4-8-12(13)15-17-14(10-18-15)11-6-2-1-3-7-11/h2-9,11H,10H2,1H3,(H,20,23)(H,21,22);2*2-10H,1H3,(H,18,19);2-10H,1H3;2-11H,1H3,(H,17,18);1-10H.

What are the key properties of N-[[3-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide;bis(N-(2-fluorophenyl)-4-(3-methylphenyl)-1,3-thiazol-2-amine);2-(2-fluorophenyl)-4-(2-methylphenyl)-1,3-thiazole;2-(2-fluorophenyl)-4-phenyl-1,3-thiazole;4-(3-methylphenyl)-N-phenyl-1,3-thiazol-2-amine?

N-[[3-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide;bis(N-(2-fluorophenyl)-4-(3-methylphenyl)-1,3-thiazol-2-amine);2-(2-fluorophenyl)-4-(2-methylphenyl)-1,3-thiazole;2-(2-fluorophenyl)-4-phenyl-1,3-thiazole;4-(3-methylphenyl)-N-phenyl-1,3-thiazol-2-amine has a molecular weight of 1701.16 g/mol, XLogP of 28.73, 18 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide;bis(N-(2-fluorophenyl)-4-(3-methylphenyl)-1,3-thiazol-2-amine);2-(2-fluorophenyl)-4-(2-methylphenyl)-1,3-thiazole;2-(2-fluorophenyl)-4-phenyl-1,3-thiazole;4-(3-methylphenyl)-N-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 158301950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).