2-[2-(3-methoxypentan-3-yl)-1,3-thiazol-4-yl]-1-phenylethanamine

C17H24N2OS — CID 116774484

IUPAC2-[2-(3-methoxypentan-3-yl)-1,3-thiazol-4-yl]-1-phenylethanamine
SMILESCCC(CC)(OC)c1nc(CC(N)c2ccccc2)cs1
InChIInChI=1S/C17H24N2OS/c1-4-17(5-2,20-3)16-19-14(12-21-16)11-15(18)13-9-7-6-8-10-13/h6-10,12,15H,4-5,11,18H2,1-3H3
InChIKeyGOIKKRGPAHNUEE-UHFFFAOYSA-N
MW304.46 g/mol
LogP4.05
Rot. Bonds7

About 2-[2-(3-methoxypentan-3-yl)-1,3-thiazol-4-yl]-1-phenylethanamine

2-[2-(3-methoxypentan-3-yl)-1,3-thiazol-4-yl]-1-phenylethanamine (PubChem CID 116774484) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is 2-[2-(3-methoxypentan-3-yl)-1,3-thiazol-4-yl]-1-phenylethanamine.

Molecular Properties

Compound Name2-[2-(3-methoxypentan-3-yl)-1,3-thiazol-4-yl]-1-phenylethanamine
PubChem CID116774484
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name2-[2-(3-methoxypentan-3-yl)-1,3-thiazol-4-yl]-1-phenylethanamine
SMILESCCC(CC)(OC)c1nc(CC(N)c2ccccc2)cs1
InChIInChI=1S/C17H24N2OS/c1-4-17(5-2,20-3)16-19-14(12-21-16)11-15(18)13-9-7-6-8-10-13/h6-10,12,15H,4-5,11,18H2,1-3H3
InChIKeyGOIKKRGPAHNUEE-UHFFFAOYSA-N
XLogP4.05
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3-methoxypentan-3-yl)-1,3-thiazol-4-yl]-1-phenylethanol
CID 116775236
1-[2-(3-methoxypentan-3-yl)-1,3-thiazol-4-yl]ethanamine
CID 116774571
1-phenyl-2-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-4-yl]ethanamine
CID 62366704
2-(3-methoxypentan-3-yl)-1,3-thiazol-4-amine
CID 116782565
2-[2-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-4-yl]-1-phenylethanamine
CID 79570144
(R)-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 104898831
2-[2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-yl]-1-phenylethanamine
CID 62750149
2-(3-methoxypentan-3-yl)-1,3-thiazole-4-carboxylic acid
CID 116744386
2-(2-tert-butyl-1,3-thiazol-4-yl)-N-ethyl-1-phenylethanamine
CID 62366190
2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine
CID 79202062
3-ethyl-3-methoxy-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine
CID 116760500
[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]methanol
CID 116782415

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxypentan-3-yl)-1,3-thiazol-4-yl]-1-phenylethanamine?
The IUPAC name of 2-[2-(3-methoxypentan-3-yl)-1,3-thiazol-4-yl]-1-phenylethanamine (CID 116774484) is 2-[2-(3-methoxypentan-3-yl)-1,3-thiazol-4-yl]-1-phenylethanamine.
What is the SMILES notation for 2-[2-(3-methoxypentan-3-yl)-1,3-thiazol-4-yl]-1-phenylethanamine?
The canonical SMILES for 2-[2-(3-methoxypentan-3-yl)-1,3-thiazol-4-yl]-1-phenylethanamine is CCC(CC)(OC)c1nc(CC(N)c2ccccc2)cs1.
What is the InChIKey of 2-[2-(3-methoxypentan-3-yl)-1,3-thiazol-4-yl]-1-phenylethanamine?
The InChIKey is GOIKKRGPAHNUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-4-17(5-2,20-3)16-19-14(12-21-16)11-15(18)13-9-7-6-8-10-13/h6-10,12,15H,4-5,11,18H2,1-3H3.
What are the key properties of 2-[2-(3-methoxypentan-3-yl)-1,3-thiazol-4-yl]-1-phenylethanamine?
2-[2-(3-methoxypentan-3-yl)-1,3-thiazol-4-yl]-1-phenylethanamine has a molecular weight of 304.46 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxypentan-3-yl)-1,3-thiazol-4-yl]-1-phenylethanamine is sourced from PubChem (CID 116774484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).