N-[[2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine

C15H27N3S — CID 104692497

IUPACN-[[2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(N2CCCCCC2CC)s1
InChIInChI=1S/C15H27N3S/c1-3-9-16-11-14-12-17-15(19-14)18-10-7-5-6-8-13(18)4-2/h12-13,16H,3-11H2,1-2H3
InChIKeyRUUDEAINRNFWNV-UHFFFAOYSA-N
MW281.47 g/mol
LogP3.80
Rot. Bonds6

About N-[[2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine

N-[[2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine (PubChem CID 104692497) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is N-[[2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
PubChem CID104692497
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC NameN-[[2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(N2CCCCCC2CC)s1
InChIInChI=1S/C15H27N3S/c1-3-9-16-11-14-12-17-15(19-14)18-10-7-5-6-8-13(18)4-2/h12-13,16H,3-11H2,1-2H3
InChIKeyRUUDEAINRNFWNV-UHFFFAOYSA-N
XLogP3.80
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 53.80
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-ethylazepan-1-yl)-1,3-thiazol-5-yl]methanamine
CID 104692480
N-[[5-(2-ethylazepan-1-yl)pyrazin-2-yl]methyl]propan-1-amine
CID 107380858
2-(2-ethylpiperidin-1-yl)-1,3-thiazole-5-carbaldehyde
CID 62757973
N-[[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62750277
N-[[4-ethyl-2-(2-ethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62769163
N-[[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 79924400
N-[[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82424672
N-[[2-(azepan-1-yl)-1,3-thiazol-5-yl]methyl]butan-1-amine
CID 82425438
1-[2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]ethanol
CID 104692502
3-ethyl-4-[5-(propylaminomethyl)-1,3-thiazol-2-yl]piperazin-2-one
CID 63602290
N-[[2-(cyclopentylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 65140276
3-methyl-4-[5-(propylaminomethyl)-1,3-thiazol-2-yl]piperazin-2-one
CID 63607028

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine (CID 104692497) is N-[[2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine is CCCNCc1cnc(N2CCCCCC2CC)s1.
What is the InChIKey of N-[[2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The InChIKey is RUUDEAINRNFWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-3-9-16-11-14-12-17-15(19-14)18-10-7-5-6-8-13(18)4-2/h12-13,16H,3-11H2,1-2H3.
What are the key properties of N-[[2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
N-[[2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine has a molecular weight of 281.47 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 104692497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).