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

C50H54F9N11O7S3 — CID 158880773

IUPAC2-(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
SMILESCC(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
InChIInChI=1S/C18H19F3N4O3S.C18H21F3N4O2S.C14H14F3N3O2S/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/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)
InChIKeyJCZRNQXJMOMCIX-UHFFFAOYSA-N
MW1188.23 g/mol
LogP9.10
Rot. Bonds13

About 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

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 158880773) has the molecular formula C50H54F9N11O7S3 and a molecular weight of 1188.23 g/mol. Its IUPAC name is 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 Name2-(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 CID158880773
Molecular FormulaC50H54F9N11O7S3
Molecular Weight1188.23 g/mol
Exact Mass1187.32
IUPAC Name2-(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
SMILESCC(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
InChIInChI=1S/C18H19F3N4O3S.C18H21F3N4O2S.C14H14F3N3O2S/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/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)
InChIKeyJCZRNQXJMOMCIX-UHFFFAOYSA-N
XLogP9.10
TPSA266.27 Ų
H-Bond Donors7
H-Bond Acceptors17
Rotatable Bonds13
Heavy Atoms80
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001188.23
LogP ≤ 59.10
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1017

Analyze 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 with MolForge

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Related Compounds

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
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;[6-[(4-chlorophenyl)methyl]-3-pyridinyl]methanamine
CID 159451679
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;1-[6-[(4-chlorophenyl)methyl]-3-pyridinyl]ethanamine
CID 160309226

Frequently Asked Questions

What is the IUPAC name of 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 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 158880773) is 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 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 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)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 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 JCZRNQXJMOMCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O3S.C18H21F3N4O2S.C14H14F3N3O2S/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/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).
What are the key properties of 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?
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 1188.23 g/mol, XLogP of 9.10, 13 rotatable bonds, 7 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 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 158880773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).