N-[4-[2-[benzyl(ethyl)amino]ethyl]phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine;N-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-4-phenyl-1,3-thiazol-2-amine;N-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-4-pyridin-2-yl-1,3-thiazol-2-amine;N-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-4-pyridin-4-yl-1,3-thiazol-2-amine;N-[4-[2-[methyl(2-phenylethyl)amino]ethyl]phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine

C123H125N19S5 — CID 160875708

About N-[4-[2-[benzyl(ethyl)amino]ethyl]phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine;N-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-4-phenyl-1,3-thiazol-2-amine;N-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-4-pyridin-2-yl-1,3-thiazol-2-amine;N-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-4-pyridin-4-yl-1,3-thiazol-2-amine;N-[4-[2-[methyl(2-phenylethyl)amino]ethyl]phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine

N-[4-[2-[benzyl(ethyl)amino]ethyl]phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine;N-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-4-phenyl-1,3-thiazol-2-amine;N-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-4-pyridin-2-yl-1,3-thiazol-2-amine;N-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-4-pyridin-4-yl-1,3-thiazol-2-amine;N-[4-[2-[methyl(2-phenylethyl)amino]ethyl]phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine (PubChem CID 160875708) has the molecular formula C123H125N19S5 and a molecular weight of 2029.82 g/mol. Its IUPAC name is N-[4-[2-[benzyl(ethyl)amino]ethyl]phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine;N-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-4-phenyl-1,3-thiazol-2-amine;N-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-4-pyridin-2-yl-1,3-thiazol-2-amine;N-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-4-pyridin-4-yl-1,3-thiazol-2-amine;N-[4-[2-[methyl(2-phenylethyl)amino]ethyl]phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: N-[4-[2-[benzyl(ethyl)amino]ethyl]phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine;N-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-4-phenyl-1,3-thiazol-2-amine;N-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-4-pyridin-2-yl-1,3-thiazol-2-amine;N-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-4-pyridin-4-yl-1,3-thiazol-2-amine;N-[4-[2-[methyl(2-phenylethyl)amino]ethyl]phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
• PubChem CID: 160875708
• Molecular Formula: C123H125N19S5
• Molecular Weight: 2029.82 g/mol
• Exact Mass: 2027.90
• IUPAC Name: N-[4-[2-[benzyl(ethyl)amino]ethyl]phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine;N-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-4-phenyl-1,3-thiazol-2-amine;N-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-4-pyridin-2-yl-1,3-thiazol-2-amine;N-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-4-pyridin-4-yl-1,3-thiazol-2-amine;N-[4-[2-[methyl(2-phenylethyl)amino]ethyl]phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
• SMILES: CCN(CCc1ccc(Nc2nc(-c3cccnc3)cs2)cc1)Cc1ccccc1.CN(CCc1ccc(Nc2nc(-c3ccccc3)cs2)cc1)Cc1ccccc1.CN(CCc1ccc(Nc2nc(-c3ccccn3)cs2)cc1)Cc1ccccc1.CN(CCc1ccc(Nc2nc(-c3ccncc3)cs2)cc1)Cc1ccccc1.CN(CCc1ccccc1)CCc1ccc(Nc2nc(-c3cccnc3)cs2)cc1
• InChI: InChI=1S/2C25H26N4S.C25H25N3S.2C24H24N4S/c1-29(16-13-20-6-3-2-4-7-20)17-14-21-9-11-23(12-10-21)27-25-28-24(19-30-25)22-8-5-15-26-18-22;1-2-29(18-21-7-4-3-5-8-21)16-14-20-10-12-23(13-11-20)27-25-28-24(19-30-25)22-9-6-15-26-17-22;1-28(18-21-8-4-2-5-9-21)17-16-20-12-14-23(15-13-20)26-25-27-24(19-29-25)22-10-6-3-7-11-22;1-28(17-20-7-3-2-4-8-20)16-14-19-10-12-21(13-11-19)26-24-27-23(18-29-24)22-9-5-6-15-25-22;1-28(17-20-5-3-2-4-6-20)16-13-19-7-9-22(10-8-19)26-24-27-23(18-29-24)21-11-14-25-15-12-21/h2-12,15,18-19H,13-14,16-17H2,1H3,(H,27,28);3-13,15,17,19H,2,14,16,18H2,1H3,(H,27,28);2-15,19H,16-18H2,1H3,(H,26,27);2-13,15,18H,14,16-17H2,1H3,(H,26,27);2-12,14-15,18H,13,16-17H2,1H3,(H,26,27)
• InChIKey: SMJBWZFHILCYMM-UHFFFAOYSA-N
• XLogP: 29.15
• TPSA: 192.36 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 24
• Rotatable Bonds: 42
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2029.82
LogP ≤ 5	29.15
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[benzyl(ethyl)amino]ethyl]phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine;N-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-4-phenyl-1,3-thiazol-2-amine;N-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-4-pyridin-2-yl-1,3-thiazol-2-amine;N-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-4-pyridin-4-yl-1,3-thiazol-2-amine;N-[4-[2-[methyl(2-phenylethyl)amino]ethyl]phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine?

The IUPAC name of N-[4-[2-[benzyl(ethyl)amino]ethyl]phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine;N-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-4-phenyl-1,3-thiazol-2-amine;N-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-4-pyridin-2-yl-1,3-thiazol-2-amine;N-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-4-pyridin-4-yl-1,3-thiazol-2-amine;N-[4-[2-[methyl(2-phenylethyl)amino]ethyl]phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine (CID 160875708) is N-[4-[2-[benzyl(ethyl)amino]ethyl]phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine;N-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-4-phenyl-1,3-thiazol-2-amine;N-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-4-pyridin-2-yl-1,3-thiazol-2-amine;N-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-4-pyridin-4-yl-1,3-thiazol-2-amine;N-[4-[2-[methyl(2-phenylethyl)amino]ethyl]phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine.

What is the SMILES notation for N-[4-[2-[benzyl(ethyl)amino]ethyl]phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine;N-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-4-phenyl-1,3-thiazol-2-amine;N-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-4-pyridin-2-yl-1,3-thiazol-2-amine;N-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-4-pyridin-4-yl-1,3-thiazol-2-amine;N-[4-[2-[methyl(2-phenylethyl)amino]ethyl]phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine?

The canonical SMILES for N-[4-[2-[benzyl(ethyl)amino]ethyl]phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine;N-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-4-phenyl-1,3-thiazol-2-amine;N-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-4-pyridin-2-yl-1,3-thiazol-2-amine;N-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-4-pyridin-4-yl-1,3-thiazol-2-amine;N-[4-[2-[methyl(2-phenylethyl)amino]ethyl]phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine is CCN(CCc1ccc(Nc2nc(-c3cccnc3)cs2)cc1)Cc1ccccc1.CN(CCc1ccc(Nc2nc(-c3ccccc3)cs2)cc1)Cc1ccccc1.CN(CCc1ccc(Nc2nc(-c3ccccn3)cs2)cc1)Cc1ccccc1.CN(CCc1ccc(Nc2nc(-c3ccncc3)cs2)cc1)Cc1ccccc1.CN(CCc1ccccc1)CCc1ccc(Nc2nc(-c3cccnc3)cs2)cc1.

What is the InChIKey of N-[4-[2-[benzyl(ethyl)amino]ethyl]phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine;N-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-4-phenyl-1,3-thiazol-2-amine;N-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-4-pyridin-2-yl-1,3-thiazol-2-amine;N-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-4-pyridin-4-yl-1,3-thiazol-2-amine;N-[4-[2-[methyl(2-phenylethyl)amino]ethyl]phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine?

The InChIKey is SMJBWZFHILCYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H26N4S.C25H25N3S.2C24H24N4S/c1-29(16-13-20-6-3-2-4-7-20)17-14-21-9-11-23(12-10-21)27-25-28-24(19-30-25)22-8-5-15-26-18-22;1-2-29(18-21-7-4-3-5-8-21)16-14-20-10-12-23(13-11-20)27-25-28-24(19-30-25)22-9-6-15-26-17-22;1-28(18-21-8-4-2-5-9-21)17-16-20-12-14-23(15-13-20)26-25-27-24(19-29-25)22-10-6-3-7-11-22;1-28(17-20-7-3-2-4-8-20)16-14-19-10-12-21(13-11-19)26-24-27-23(18-29-24)22-9-5-6-15-25-22;1-28(17-20-5-3-2-4-6-20)16-13-19-7-9-22(10-8-19)26-24-27-23(18-29-24)21-11-14-25-15-12-21/h2-12,15,18-19H,13-14,16-17H2,1H3,(H,27,28);3-13,15,17,19H,2,14,16,18H2,1H3,(H,27,28);2-15,19H,16-18H2,1H3,(H,26,27);2-13,15,18H,14,16-17H2,1H3,(H,26,27);2-12,14-15,18H,13,16-17H2,1H3,(H,26,27).

What are the key properties of N-[4-[2-[benzyl(ethyl)amino]ethyl]phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine;N-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-4-phenyl-1,3-thiazol-2-amine;N-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-4-pyridin-2-yl-1,3-thiazol-2-amine;N-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-4-pyridin-4-yl-1,3-thiazol-2-amine;N-[4-[2-[methyl(2-phenylethyl)amino]ethyl]phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine?

N-[4-[2-[benzyl(ethyl)amino]ethyl]phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine;N-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-4-phenyl-1,3-thiazol-2-amine;N-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-4-pyridin-2-yl-1,3-thiazol-2-amine;N-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-4-pyridin-4-yl-1,3-thiazol-2-amine;N-[4-[2-[methyl(2-phenylethyl)amino]ethyl]phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine has a molecular weight of 2029.82 g/mol, XLogP of 29.15, 42 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[benzyl(ethyl)amino]ethyl]phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine;N-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-4-phenyl-1,3-thiazol-2-amine;N-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-4-pyridin-2-yl-1,3-thiazol-2-amine;N-[4-[2-[benzyl(methyl)amino]ethyl]phenyl]-4-pyridin-4-yl-1,3-thiazol-2-amine;N-[4-[2-[methyl(2-phenylethyl)amino]ethyl]phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 160875708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).