N-ethyl-1-phenyl-2-[2-(propylsulfanylmethyl)-1,3-thiazol-4-yl]ethanamine

C17H24N2S2 — CID 65128705

IUPACN-ethyl-1-phenyl-2-[2-(propylsulfanylmethyl)-1,3-thiazol-4-yl]ethanamine
SMILESCCCSCc1nc(CC(NCC)c2ccccc2)cs1
InChIInChI=1S/C17H24N2S2/c1-3-10-20-13-17-19-15(12-21-17)11-16(18-4-2)14-8-6-5-7-9-14/h5-9,12,16,18H,3-4,10-11,13H2,1-2H3
InChIKeyXODHSARBVPZOMD-UHFFFAOYSA-N
MW320.53 g/mol
LogP4.68
Rot. Bonds9

About N-ethyl-1-phenyl-2-[2-(propylsulfanylmethyl)-1,3-thiazol-4-yl]ethanamine

N-ethyl-1-phenyl-2-[2-(propylsulfanylmethyl)-1,3-thiazol-4-yl]ethanamine (PubChem CID 65128705) has the molecular formula C17H24N2S2 and a molecular weight of 320.53 g/mol. Its IUPAC name is N-ethyl-1-phenyl-2-[2-(propylsulfanylmethyl)-1,3-thiazol-4-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-phenyl-2-[2-(propylsulfanylmethyl)-1,3-thiazol-4-yl]ethanamine
PubChem CID65128705
Molecular FormulaC17H24N2S2
Molecular Weight320.53 g/mol
Exact Mass320.14
IUPAC NameN-ethyl-1-phenyl-2-[2-(propylsulfanylmethyl)-1,3-thiazol-4-yl]ethanamine
SMILESCCCSCc1nc(CC(NCC)c2ccccc2)cs1
InChIInChI=1S/C17H24N2S2/c1-3-10-20-13-17-19-15(12-21-17)11-16(18-4-2)14-8-6-5-7-9-14/h5-9,12,16,18H,3-4,10-11,13H2,1-2H3
InChIKeyXODHSARBVPZOMD-UHFFFAOYSA-N
XLogP4.68
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.53
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-tert-butyl-1,3-thiazol-4-yl)-N-ethyl-1-phenylethanamine
CID 62366190
2-[2-(propylsulfanylmethyl)-1,3-thiazol-4-yl]acetic acid
CID 65129995
2-(6-ethoxy-2-pyridinyl)-N-ethyl-1-phenylethanamine
CID 63586312
(1S)-N-ethyl-1-phenyl-2-pyridin-2-ylethanamine
CID 129365604
N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)-1-naphthalen-2-ylethanamine
CID 62799174
N-ethyl-1-phenyl-2-quinoxalin-2-ylethanamine
CID 63200105
N-ethyl-1-(4-methoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 55119799
N-ethyl-1-(4-phenylphenyl)-2-propylsulfanylethanamine
CID 64614907
N-ethyl-2-(1-pentan-3-ylpyrazol-3-yl)-1-phenylethanamine
CID 64777619
4-[1-(ethylamino)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]-N,N-dimethylaniline
CID 105159159
N-methyl-1-phenyl-2-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 65134246
2-(6-ethoxypyrimidin-4-yl)-N-ethyl-1-phenylethanamine
CID 66318580

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-phenyl-2-[2-(propylsulfanylmethyl)-1,3-thiazol-4-yl]ethanamine?
The IUPAC name of N-ethyl-1-phenyl-2-[2-(propylsulfanylmethyl)-1,3-thiazol-4-yl]ethanamine (CID 65128705) is N-ethyl-1-phenyl-2-[2-(propylsulfanylmethyl)-1,3-thiazol-4-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-phenyl-2-[2-(propylsulfanylmethyl)-1,3-thiazol-4-yl]ethanamine?
The canonical SMILES for N-ethyl-1-phenyl-2-[2-(propylsulfanylmethyl)-1,3-thiazol-4-yl]ethanamine is CCCSCc1nc(CC(NCC)c2ccccc2)cs1.
What is the InChIKey of N-ethyl-1-phenyl-2-[2-(propylsulfanylmethyl)-1,3-thiazol-4-yl]ethanamine?
The InChIKey is XODHSARBVPZOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S2/c1-3-10-20-13-17-19-15(12-21-17)11-16(18-4-2)14-8-6-5-7-9-14/h5-9,12,16,18H,3-4,10-11,13H2,1-2H3.
What are the key properties of N-ethyl-1-phenyl-2-[2-(propylsulfanylmethyl)-1,3-thiazol-4-yl]ethanamine?
N-ethyl-1-phenyl-2-[2-(propylsulfanylmethyl)-1,3-thiazol-4-yl]ethanamine has a molecular weight of 320.53 g/mol, XLogP of 4.68, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-phenyl-2-[2-(propylsulfanylmethyl)-1,3-thiazol-4-yl]ethanamine is sourced from PubChem (CID 65128705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).