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

C63H67ClF9N13O7S3 — CID 159451679

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;[6-[(4-chlorophenyl)methyl]-3-pyridinyl]methanamine
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.NCc1ccc(Cc2ccc(Cl)cc2)nc1
InChIInChI=1S/C18H19F3N4O3S.C18H21F3N4O2S.C14H14F3N3O2S.C13H13ClN2/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;14-12-4-1-10(2-5-12)7-13-6-3-11(8-15)9-16-13/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);1-6,9H,7-8,15H2
InChIKeyLTLOEJHLBPBXKR-UHFFFAOYSA-N
MW1420.95 g/mol
LogP11.88
Rot. Bonds16

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;[6-[(4-chlorophenyl)methyl]-3-pyridinyl]methanamine

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 (PubChem CID 159451679) has the molecular formula C63H67ClF9N13O7S3 and a molecular weight of 1420.95 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;[6-[(4-chlorophenyl)methyl]-3-pyridinyl]methanamine.

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;[6-[(4-chlorophenyl)methyl]-3-pyridinyl]methanamine
PubChem CID159451679
Molecular FormulaC63H67ClF9N13O7S3
Molecular Weight1420.95 g/mol
Exact Mass1419.40
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;[6-[(4-chlorophenyl)methyl]-3-pyridinyl]methanamine
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.NCc1ccc(Cc2ccc(Cl)cc2)nc1
InChIInChI=1S/C18H19F3N4O3S.C18H21F3N4O2S.C14H14F3N3O2S.C13H13ClN2/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;14-12-4-1-10(2-5-12)7-13-6-3-11(8-15)9-16-13/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);1-6,9H,7-8,15H2
InChIKeyLTLOEJHLBPBXKR-UHFFFAOYSA-N
XLogP11.88
TPSA305.18 Ų
H-Bond Donors8
H-Bond Acceptors19
Rotatable Bonds16
Heavy Atoms96
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001420.95
LogP ≤ 511.88
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1019

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;[6-[(4-chlorophenyl)methyl]-3-pyridinyl]methanamine 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
CID 158880773
5-(1-aminoethyl)-N-(4-chlorophenyl)pyridin-2-amine;2-(1-aminoethyl)-N-[3-(dimethylcarbamoyl)-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;4-(aminomethyl)-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine;1-[2-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]ethanamine
CID 160223827
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;[6-[(4-chlorophenyl)methyl]-3-pyridinyl]methanamine?
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;[6-[(4-chlorophenyl)methyl]-3-pyridinyl]methanamine (CID 159451679) 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;[6-[(4-chlorophenyl)methyl]-3-pyridinyl]methanamine.
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;[6-[(4-chlorophenyl)methyl]-3-pyridinyl]methanamine?
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;[6-[(4-chlorophenyl)methyl]-3-pyridinyl]methanamine 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.NCc1ccc(Cc2ccc(Cl)cc2)nc1.
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;[6-[(4-chlorophenyl)methyl]-3-pyridinyl]methanamine?
The InChIKey is LTLOEJHLBPBXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O3S.C18H21F3N4O2S.C14H14F3N3O2S.C13H13ClN2/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;14-12-4-1-10(2-5-12)7-13-6-3-11(8-15)9-16-13/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);1-6,9H,7-8,15H2.
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;[6-[(4-chlorophenyl)methyl]-3-pyridinyl]methanamine?
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 has a molecular weight of 1420.95 g/mol, XLogP of 11.88, 16 rotatable bonds, 8 hydrogen bond donors, and 19 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;[6-[(4-chlorophenyl)methyl]-3-pyridinyl]methanamine is sourced from PubChem (CID 159451679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).