3-ethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pentan-3-amine

C17H24N2S — CID 65039690

IUPAC3-ethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pentan-3-amine
SMILESCCC(CC)(CC)NCc1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H24N2S/c1-4-17(5-2,6-3)18-12-16-19-15(13-20-16)14-10-8-7-9-11-14/h7-11,13,18H,4-6,12H2,1-3H3
InChIKeyHYZFTGCFOGNOBP-UHFFFAOYSA-N
MW288.46 g/mol
LogP4.87
Rot. Bonds7

About 3-ethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pentan-3-amine

3-ethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pentan-3-amine (PubChem CID 65039690) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 3-ethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pentan-3-amine.

Molecular Properties

Compound Name3-ethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pentan-3-amine
PubChem CID65039690
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC Name3-ethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pentan-3-amine
SMILESCCC(CC)(CC)NCc1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H24N2S/c1-4-17(5-2,6-3)18-12-16-19-15(13-20-16)14-10-8-7-9-11-14/h7-11,13,18H,4-6,12H2,1-3H3
InChIKeyHYZFTGCFOGNOBP-UHFFFAOYSA-N
XLogP4.87
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62543018
2-cyclopropyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 103700231
2-methyl-1-[(4-phenyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
CID 63932074
N-[(4-phenyl-1,3-thiazol-2-yl)methyl]octan-1-amine
CID 115566923
2-ethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]aniline
CID 62899206
3-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]butan-1-amine
CID 60961920
N',N'-dimethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine
CID 62899204
N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-2-amine
CID 113224729
2,2,3,3-tetramethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclopropan-1-amine
CID 79359346
3-ethyl-3-methoxy-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine
CID 116760500
2-cyclopentyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 62900718
1-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine
CID 62900910

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pentan-3-amine?
The IUPAC name of 3-ethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pentan-3-amine (CID 65039690) is 3-ethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pentan-3-amine.
What is the SMILES notation for 3-ethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pentan-3-amine?
The canonical SMILES for 3-ethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pentan-3-amine is CCC(CC)(CC)NCc1nc(-c2ccccc2)cs1.
What is the InChIKey of 3-ethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pentan-3-amine?
The InChIKey is HYZFTGCFOGNOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-4-17(5-2,6-3)18-12-16-19-15(13-20-16)14-10-8-7-9-11-14/h7-11,13,18H,4-6,12H2,1-3H3.
What are the key properties of 3-ethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pentan-3-amine?
3-ethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pentan-3-amine has a molecular weight of 288.46 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pentan-3-amine is sourced from PubChem (CID 65039690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).