5-(1-aminoethyl)-N-(4-chlorophenyl)pyridin-2-amine;2-(1-aminoethyl)-N-[3-(hydroxymethyl)-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-(1-aminoethyl)-N-[3-(morpholine-4-carbonyl)-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-(1-aminoethyl)-N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide

C63H68ClF9N14O7S3 — CID 158847652

About 5-(1-aminoethyl)-N-(4-chlorophenyl)pyridin-2-amine;2-(1-aminoethyl)-N-[3-(hydroxymethyl)-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-(1-aminoethyl)-N-[3-(morpholine-4-carbonyl)-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-(1-aminoethyl)-N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide

5-(1-aminoethyl)-N-(4-chlorophenyl)pyridin-2-amine;2-(1-aminoethyl)-N-[3-(hydroxymethyl)-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-(1-aminoethyl)-N-[3-(morpholine-4-carbonyl)-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-(1-aminoethyl)-N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 158847652) has the molecular formula C63H68ClF9N14O7S3 and a molecular weight of 1435.96 g/mol. Its IUPAC name is 5-(1-aminoethyl)-N-(4-chlorophenyl)pyridin-2-amine;2-(1-aminoethyl)-N-[3-(hydroxymethyl)-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-(1-aminoethyl)-N-[3-(morpholine-4-carbonyl)-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-(1-aminoethyl)-N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 5-(1-aminoethyl)-N-(4-chlorophenyl)pyridin-2-amine;2-(1-aminoethyl)-N-[3-(hydroxymethyl)-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-(1-aminoethyl)-N-[3-(morpholine-4-carbonyl)-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-(1-aminoethyl)-N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
• PubChem CID: 158847652
• Molecular Formula: C63H68ClF9N14O7S3
• Molecular Weight: 1435.96 g/mol
• Exact Mass: 1434.41
• IUPAC Name: 5-(1-aminoethyl)-N-(4-chlorophenyl)pyridin-2-amine;2-(1-aminoethyl)-N-[3-(hydroxymethyl)-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-(1-aminoethyl)-N-[3-(morpholine-4-carbonyl)-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-(1-aminoethyl)-N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
• SMILES: CC(N)c1ccc(Nc2ccc(Cl)cc2)nc1.CC(N)c1ncc(C(=O)Nc2cc(C(=O)N3CCOCC3)cc(C(F)(F)F)c2)s1.CC(N)c1ncc(C(=O)Nc2cc(CN3CCOCC3)cc(C(F)(F)F)c2)s1.CC(N)c1ncc(C(=O)Nc2cc(CO)cc(C(F)(F)F)c2)s1
• InChI: InChI=1S/C18H19F3N4O3S.C18H21F3N4O2S.C14H14F3N3O2S.C13H14ClN3/c1-10(22)16-23-9-14(29-16)15(26)24-13-7-11(6-12(8-13)18(19,20)21)17(27)25-2-4-28-5-3-25;1-11(22)17-23-9-15(28-17)16(26)24-14-7-12(6-13(8-14)18(19,20)21)10-25-2-4-27-5-3-25;1-7(18)13-19-5-11(23-13)12(22)20-10-3-8(6-21)2-9(4-10)14(15,16)17;1-9(15)10-2-7-13(16-8-10)17-12-5-3-11(14)4-6-12/h6-10H,2-5,22H2,1H3,(H,24,26);6-9,11H,2-5,10,22H2,1H3,(H,24,26);2-5,7,21H,6,18H2,1H3,(H,20,22);2-9H,15H2,1H3,(H,16,17)
• InChIKey: IZAPVMWAIDCSDQ-UHFFFAOYSA-N
• XLogP: 12.60
• TPSA: 317.21 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 20
• Rotatable Bonds: 16
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1435.96
LogP ≤ 5	12.60
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminoethyl)-N-(4-chlorophenyl)pyridin-2-amine;2-(1-aminoethyl)-N-[3-(hydroxymethyl)-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-(1-aminoethyl)-N-[3-(morpholine-4-carbonyl)-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-(1-aminoethyl)-N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?

The IUPAC name of 5-(1-aminoethyl)-N-(4-chlorophenyl)pyridin-2-amine;2-(1-aminoethyl)-N-[3-(hydroxymethyl)-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-(1-aminoethyl)-N-[3-(morpholine-4-carbonyl)-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-(1-aminoethyl)-N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide (CID 158847652) is 5-(1-aminoethyl)-N-(4-chlorophenyl)pyridin-2-amine;2-(1-aminoethyl)-N-[3-(hydroxymethyl)-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-(1-aminoethyl)-N-[3-(morpholine-4-carbonyl)-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-(1-aminoethyl)-N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide.

What is the SMILES notation for 5-(1-aminoethyl)-N-(4-chlorophenyl)pyridin-2-amine;2-(1-aminoethyl)-N-[3-(hydroxymethyl)-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-(1-aminoethyl)-N-[3-(morpholine-4-carbonyl)-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-(1-aminoethyl)-N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?

The canonical SMILES for 5-(1-aminoethyl)-N-(4-chlorophenyl)pyridin-2-amine;2-(1-aminoethyl)-N-[3-(hydroxymethyl)-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-(1-aminoethyl)-N-[3-(morpholine-4-carbonyl)-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-(1-aminoethyl)-N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide is CC(N)c1ccc(Nc2ccc(Cl)cc2)nc1.CC(N)c1ncc(C(=O)Nc2cc(C(=O)N3CCOCC3)cc(C(F)(F)F)c2)s1.CC(N)c1ncc(C(=O)Nc2cc(CN3CCOCC3)cc(C(F)(F)F)c2)s1.CC(N)c1ncc(C(=O)Nc2cc(CO)cc(C(F)(F)F)c2)s1.

What is the InChIKey of 5-(1-aminoethyl)-N-(4-chlorophenyl)pyridin-2-amine;2-(1-aminoethyl)-N-[3-(hydroxymethyl)-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-(1-aminoethyl)-N-[3-(morpholine-4-carbonyl)-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-(1-aminoethyl)-N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?

The InChIKey is IZAPVMWAIDCSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O3S.C18H21F3N4O2S.C14H14F3N3O2S.C13H14ClN3/c1-10(22)16-23-9-14(29-16)15(26)24-13-7-11(6-12(8-13)18(19,20)21)17(27)25-2-4-28-5-3-25;1-11(22)17-23-9-15(28-17)16(26)24-14-7-12(6-13(8-14)18(19,20)21)10-25-2-4-27-5-3-25;1-7(18)13-19-5-11(23-13)12(22)20-10-3-8(6-21)2-9(4-10)14(15,16)17;1-9(15)10-2-7-13(16-8-10)17-12-5-3-11(14)4-6-12/h6-10H,2-5,22H2,1H3,(H,24,26);6-9,11H,2-5,10,22H2,1H3,(H,24,26);2-5,7,21H,6,18H2,1H3,(H,20,22);2-9H,15H2,1H3,(H,16,17).

What are the key properties of 5-(1-aminoethyl)-N-(4-chlorophenyl)pyridin-2-amine;2-(1-aminoethyl)-N-[3-(hydroxymethyl)-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-(1-aminoethyl)-N-[3-(morpholine-4-carbonyl)-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-(1-aminoethyl)-N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?

5-(1-aminoethyl)-N-(4-chlorophenyl)pyridin-2-amine;2-(1-aminoethyl)-N-[3-(hydroxymethyl)-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-(1-aminoethyl)-N-[3-(morpholine-4-carbonyl)-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-(1-aminoethyl)-N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 1435.96 g/mol, XLogP of 12.60, 16 rotatable bonds, 9 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1-aminoethyl)-N-(4-chlorophenyl)pyridin-2-amine;2-(1-aminoethyl)-N-[3-(hydroxymethyl)-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-(1-aminoethyl)-N-[3-(morpholine-4-carbonyl)-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide;2-(1-aminoethyl)-N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 158847652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).