2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-4-yl)ethanamine;2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethanamine;2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,3-thiazol-4-yl)ethanamine;2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,3-thiazol-5-yl)ethanamine;2-morpholin-4-yl-2-(1,3-thiazol-4-yl)ethanamine;2-morpholin-4-yl-2-(1,3-thiazol-5-yl)ethanamine;2-(1,4-oxazepan-4-yl)-2-(1,3-thiazol-4-yl)ethanamine;2-(4-phenoxypiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethanamine;2-(4-phenylmethoxypiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethanamine

C109H155F4N27O5S9 — CID 158790666

IUPAC2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-4-yl)ethanamine;2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethanamine;2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,3-thiazol-4-yl)ethanamine;2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,3-thiazol-5-yl)ethanamine;2-morpholin-4-yl-2-(1,3-thiazol-4-yl)ethanamine;2-morpholin-4-yl-2-(1,3-thiazol-5-yl)ethanamine;2-(1,4-oxazepan-4-yl)-2-(1,3-thiazol-4-yl)ethanamine;2-(4-phenoxypiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethanamine;2-(4-phenylmethoxypiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethanamine
SMILESNCC(c1cncs1)N1CCC(F)(F)CC1.NCC(c1cncs1)N1CCC(OCc2ccccc2)CC1.NCC(c1cncs1)N1CCC(Oc2ccccc2)CC1.NCC(c1cncs1)N1CCOCC1.NCC(c1cncs1)N1CCc2ccccc2C1.NCC(c1cscn1)N1CCC(F)(F)CC1.NCC(c1cscn1)N1CCCOCC1.NCC(c1cscn1)N1CCOCC1.NCC(c1cscn1)N1CCc2ccccc2C1
InChIInChI=1S/C17H23N3OS.C16H21N3OS.2C14H17N3S.2C10H15F2N3S.C10H17N3OS.2C9H15N3OS/c18-10-16(17-11-19-13-22-17)20-8-6-15(7-9-20)21-12-14-4-2-1-3-5-14;17-10-15(16-11-18-12-21-16)19-8-6-14(7-9-19)20-13-4-2-1-3-5-13;15-7-13(14-8-16-10-18-14)17-6-5-11-3-1-2-4-12(11)9-17;15-7-14(13-9-18-10-16-13)17-6-5-11-3-1-2-4-12(11)8-17;11-10(12)1-3-15(4-2-10)9(5-13)8-6-16-7-14-8;11-10(12)1-3-15(4-2-10)8(5-13)9-6-14-7-16-9;11-6-10(9-7-15-8-12-9)13-2-1-4-14-5-3-13;10-5-9(8-6-14-7-11-8)12-1-3-13-4-2-12;10-5-8(9-6-11-7-14-9)12-1-3-13-4-2-12/h1-5,11,13,15-16H,6-10,12,18H2;1-5,11-12,14-15H,6-10,17H2;1-4,8,10,13H,5-7,9,15H2;1-4,9-10,14H,5-8,15H2;6-7,9H,1-5,13H2;6-8H,1-5,13H2;7-8,10H,1-6,11H2;6-7,9H,1-5,10H2;6-8H,1-5,10H2
InChIKeyISFQLASQVIGSHU-UHFFFAOYSA-N
MW2288.22 g/mol
LogP15.48
Rot. Bonds32

About 2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-4-yl)ethanamine;2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethanamine;2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,3-thiazol-4-yl)ethanamine;2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,3-thiazol-5-yl)ethanamine;2-morpholin-4-yl-2-(1,3-thiazol-4-yl)ethanamine;2-morpholin-4-yl-2-(1,3-thiazol-5-yl)ethanamine;2-(1,4-oxazepan-4-yl)-2-(1,3-thiazol-4-yl)ethanamine;2-(4-phenoxypiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethanamine;2-(4-phenylmethoxypiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethanamine

2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-4-yl)ethanamine;2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethanamine;2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,3-thiazol-4-yl)ethanamine;2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,3-thiazol-5-yl)ethanamine;2-morpholin-4-yl-2-(1,3-thiazol-4-yl)ethanamine;2-morpholin-4-yl-2-(1,3-thiazol-5-yl)ethanamine;2-(1,4-oxazepan-4-yl)-2-(1,3-thiazol-4-yl)ethanamine;2-(4-phenoxypiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethanamine;2-(4-phenylmethoxypiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethanamine (PubChem CID 158790666) has the molecular formula C109H155F4N27O5S9 and a molecular weight of 2288.22 g/mol. Its IUPAC name is 2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-4-yl)ethanamine;2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethanamine;2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,3-thiazol-4-yl)ethanamine;2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,3-thiazol-5-yl)ethanamine;2-morpholin-4-yl-2-(1,3-thiazol-4-yl)ethanamine;2-morpholin-4-yl-2-(1,3-thiazol-5-yl)ethanamine;2-(1,4-oxazepan-4-yl)-2-(1,3-thiazol-4-yl)ethanamine;2-(4-phenoxypiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethanamine;2-(4-phenylmethoxypiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-4-yl)ethanamine;2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethanamine;2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,3-thiazol-4-yl)ethanamine;2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,3-thiazol-5-yl)ethanamine;2-morpholin-4-yl-2-(1,3-thiazol-4-yl)ethanamine;2-morpholin-4-yl-2-(1,3-thiazol-5-yl)ethanamine;2-(1,4-oxazepan-4-yl)-2-(1,3-thiazol-4-yl)ethanamine;2-(4-phenoxypiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethanamine;2-(4-phenylmethoxypiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethanamine
PubChem CID158790666
Molecular FormulaC109H155F4N27O5S9
Molecular Weight2288.22 g/mol
Exact Mass2286.01
IUPAC Name2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-4-yl)ethanamine;2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethanamine;2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,3-thiazol-4-yl)ethanamine;2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,3-thiazol-5-yl)ethanamine;2-morpholin-4-yl-2-(1,3-thiazol-4-yl)ethanamine;2-morpholin-4-yl-2-(1,3-thiazol-5-yl)ethanamine;2-(1,4-oxazepan-4-yl)-2-(1,3-thiazol-4-yl)ethanamine;2-(4-phenoxypiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethanamine;2-(4-phenylmethoxypiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethanamine
SMILESNCC(c1cncs1)N1CCC(F)(F)CC1.NCC(c1cncs1)N1CCC(OCc2ccccc2)CC1.NCC(c1cncs1)N1CCC(Oc2ccccc2)CC1.NCC(c1cncs1)N1CCOCC1.NCC(c1cncs1)N1CCc2ccccc2C1.NCC(c1cscn1)N1CCC(F)(F)CC1.NCC(c1cscn1)N1CCCOCC1.NCC(c1cscn1)N1CCOCC1.NCC(c1cscn1)N1CCc2ccccc2C1
InChIInChI=1S/C17H23N3OS.C16H21N3OS.2C14H17N3S.2C10H15F2N3S.C10H17N3OS.2C9H15N3OS/c18-10-16(17-11-19-13-22-17)20-8-6-15(7-9-20)21-12-14-4-2-1-3-5-14;17-10-15(16-11-18-12-21-16)19-8-6-14(7-9-19)20-13-4-2-1-3-5-13;15-7-13(14-8-16-10-18-14)17-6-5-11-3-1-2-4-12(11)9-17;15-7-14(13-9-18-10-16-13)17-6-5-11-3-1-2-4-12(11)8-17;11-10(12)1-3-15(4-2-10)9(5-13)8-6-16-7-14-8;11-10(12)1-3-15(4-2-10)8(5-13)9-6-14-7-16-9;11-6-10(9-7-15-8-12-9)13-2-1-4-14-5-3-13;10-5-9(8-6-14-7-11-8)12-1-3-13-4-2-12;10-5-8(9-6-11-7-14-9)12-1-3-13-4-2-12/h1-5,11,13,15-16H,6-10,12,18H2;1-5,11-12,14-15H,6-10,17H2;1-4,8,10,13H,5-7,9,15H2;1-4,9-10,14H,5-8,15H2;6-7,9H,1-5,13H2;6-8H,1-5,13H2;7-8,10H,1-6,11H2;6-7,9H,1-5,10H2;6-8H,1-5,10H2
InChIKeyISFQLASQVIGSHU-UHFFFAOYSA-N
XLogP15.48
TPSA425.50 Ų
H-Bond Donors9
H-Bond Acceptors41
Rotatable Bonds32
Heavy Atoms154
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002288.22
LogP ≤ 515.48
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1041

Analyze 2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-4-yl)ethanamine;2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethanamine;2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,3-thiazol-4-yl)ethanamine;2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,3-thiazol-5-yl)ethanamine;2-morpholin-4-yl-2-(1,3-thiazol-4-yl)ethanamine;2-morpholin-4-yl-2-(1,3-thiazol-5-yl)ethanamine;2-(1,4-oxazepan-4-yl)-2-(1,3-thiazol-4-yl)ethanamine;2-(4-phenoxypiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethanamine;2-(4-phenylmethoxypiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-4-yl)ethanamine;2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethanamine;2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,3-thiazol-4-yl)ethanamine;2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,3-thiazol-5-yl)ethanamine;2-morpholin-4-yl-2-(1,3-thiazol-4-yl)ethanamine;2-morpholin-4-yl-2-(1,3-thiazol-5-yl)ethanamine;2-(1,4-oxazepan-4-yl)-2-(1,3-thiazol-4-yl)ethanamine;2-(4-phenoxypiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethanamine;2-(4-phenylmethoxypiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethanamine?
The IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-4-yl)ethanamine;2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethanamine;2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,3-thiazol-4-yl)ethanamine;2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,3-thiazol-5-yl)ethanamine;2-morpholin-4-yl-2-(1,3-thiazol-4-yl)ethanamine;2-morpholin-4-yl-2-(1,3-thiazol-5-yl)ethanamine;2-(1,4-oxazepan-4-yl)-2-(1,3-thiazol-4-yl)ethanamine;2-(4-phenoxypiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethanamine;2-(4-phenylmethoxypiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethanamine (CID 158790666) is 2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-4-yl)ethanamine;2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethanamine;2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,3-thiazol-4-yl)ethanamine;2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,3-thiazol-5-yl)ethanamine;2-morpholin-4-yl-2-(1,3-thiazol-4-yl)ethanamine;2-morpholin-4-yl-2-(1,3-thiazol-5-yl)ethanamine;2-(1,4-oxazepan-4-yl)-2-(1,3-thiazol-4-yl)ethanamine;2-(4-phenoxypiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethanamine;2-(4-phenylmethoxypiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for 2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-4-yl)ethanamine;2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethanamine;2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,3-thiazol-4-yl)ethanamine;2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,3-thiazol-5-yl)ethanamine;2-morpholin-4-yl-2-(1,3-thiazol-4-yl)ethanamine;2-morpholin-4-yl-2-(1,3-thiazol-5-yl)ethanamine;2-(1,4-oxazepan-4-yl)-2-(1,3-thiazol-4-yl)ethanamine;2-(4-phenoxypiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethanamine;2-(4-phenylmethoxypiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for 2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-4-yl)ethanamine;2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethanamine;2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,3-thiazol-4-yl)ethanamine;2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,3-thiazol-5-yl)ethanamine;2-morpholin-4-yl-2-(1,3-thiazol-4-yl)ethanamine;2-morpholin-4-yl-2-(1,3-thiazol-5-yl)ethanamine;2-(1,4-oxazepan-4-yl)-2-(1,3-thiazol-4-yl)ethanamine;2-(4-phenoxypiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethanamine;2-(4-phenylmethoxypiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethanamine is NCC(c1cncs1)N1CCC(F)(F)CC1.NCC(c1cncs1)N1CCC(OCc2ccccc2)CC1.NCC(c1cncs1)N1CCC(Oc2ccccc2)CC1.NCC(c1cncs1)N1CCOCC1.NCC(c1cncs1)N1CCc2ccccc2C1.NCC(c1cscn1)N1CCC(F)(F)CC1.NCC(c1cscn1)N1CCCOCC1.NCC(c1cscn1)N1CCOCC1.NCC(c1cscn1)N1CCc2ccccc2C1.
What is the InChIKey of 2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-4-yl)ethanamine;2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethanamine;2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,3-thiazol-4-yl)ethanamine;2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,3-thiazol-5-yl)ethanamine;2-morpholin-4-yl-2-(1,3-thiazol-4-yl)ethanamine;2-morpholin-4-yl-2-(1,3-thiazol-5-yl)ethanamine;2-(1,4-oxazepan-4-yl)-2-(1,3-thiazol-4-yl)ethanamine;2-(4-phenoxypiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethanamine;2-(4-phenylmethoxypiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethanamine?
The InChIKey is ISFQLASQVIGSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS.C16H21N3OS.2C14H17N3S.2C10H15F2N3S.C10H17N3OS.2C9H15N3OS/c18-10-16(17-11-19-13-22-17)20-8-6-15(7-9-20)21-12-14-4-2-1-3-5-14;17-10-15(16-11-18-12-21-16)19-8-6-14(7-9-19)20-13-4-2-1-3-5-13;15-7-13(14-8-16-10-18-14)17-6-5-11-3-1-2-4-12(11)9-17;15-7-14(13-9-18-10-16-13)17-6-5-11-3-1-2-4-12(11)8-17;11-10(12)1-3-15(4-2-10)9(5-13)8-6-16-7-14-8;11-10(12)1-3-15(4-2-10)8(5-13)9-6-14-7-16-9;11-6-10(9-7-15-8-12-9)13-2-1-4-14-5-3-13;10-5-9(8-6-14-7-11-8)12-1-3-13-4-2-12;10-5-8(9-6-11-7-14-9)12-1-3-13-4-2-12/h1-5,11,13,15-16H,6-10,12,18H2;1-5,11-12,14-15H,6-10,17H2;1-4,8,10,13H,5-7,9,15H2;1-4,9-10,14H,5-8,15H2;6-7,9H,1-5,13H2;6-8H,1-5,13H2;7-8,10H,1-6,11H2;6-7,9H,1-5,10H2;6-8H,1-5,10H2.
What are the key properties of 2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-4-yl)ethanamine;2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethanamine;2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,3-thiazol-4-yl)ethanamine;2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,3-thiazol-5-yl)ethanamine;2-morpholin-4-yl-2-(1,3-thiazol-4-yl)ethanamine;2-morpholin-4-yl-2-(1,3-thiazol-5-yl)ethanamine;2-(1,4-oxazepan-4-yl)-2-(1,3-thiazol-4-yl)ethanamine;2-(4-phenoxypiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethanamine;2-(4-phenylmethoxypiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethanamine?
2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-4-yl)ethanamine;2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethanamine;2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,3-thiazol-4-yl)ethanamine;2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,3-thiazol-5-yl)ethanamine;2-morpholin-4-yl-2-(1,3-thiazol-4-yl)ethanamine;2-morpholin-4-yl-2-(1,3-thiazol-5-yl)ethanamine;2-(1,4-oxazepan-4-yl)-2-(1,3-thiazol-4-yl)ethanamine;2-(4-phenoxypiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethanamine;2-(4-phenylmethoxypiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethanamine has a molecular weight of 2288.22 g/mol, XLogP of 15.48, 32 rotatable bonds, 9 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-4-yl)ethanamine;2-(4,4-difluoropiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethanamine;2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,3-thiazol-4-yl)ethanamine;2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1,3-thiazol-5-yl)ethanamine;2-morpholin-4-yl-2-(1,3-thiazol-4-yl)ethanamine;2-morpholin-4-yl-2-(1,3-thiazol-5-yl)ethanamine;2-(1,4-oxazepan-4-yl)-2-(1,3-thiazol-4-yl)ethanamine;2-(4-phenoxypiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethanamine;2-(4-phenylmethoxypiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 158790666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).