N-[[4-ethyl-2-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine

C17H31N3S — CID 82430727

IUPACN-[[4-ethyl-2-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1sc(CCN2CCCCC2C)nc1CC
InChIInChI=1S/C17H31N3S/c1-4-10-18-13-16-15(5-2)19-17(21-16)9-12-20-11-7-6-8-14(20)3/h14,18H,4-13H2,1-3H3
InChIKeyNXSYLFOXZFLQIW-UHFFFAOYSA-N
MW309.52 g/mol
LogP3.62
Rot. Bonds8

About N-[[4-ethyl-2-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine

N-[[4-ethyl-2-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine (PubChem CID 82430727) has the molecular formula C17H31N3S and a molecular weight of 309.52 g/mol. Its IUPAC name is N-[[4-ethyl-2-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-ethyl-2-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
PubChem CID82430727
Molecular FormulaC17H31N3S
Molecular Weight309.52 g/mol
Exact Mass309.22
IUPAC NameN-[[4-ethyl-2-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1sc(CCN2CCCCC2C)nc1CC
InChIInChI=1S/C17H31N3S/c1-4-10-18-13-16-15(5-2)19-17(21-16)9-12-20-11-7-6-8-14(20)3/h14,18H,4-13H2,1-3H3
InChIKeyNXSYLFOXZFLQIW-UHFFFAOYSA-N
XLogP3.62
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.52
LogP ≤ 53.62
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

N-[[4-methyl-2-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 82193766
N-[[4-ethyl-2-(2-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 55113238
N-[[4-ethyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]methyl]butan-1-amine
CID 82430699
N-[[2-(cyclopentylsulfanylmethyl)-4-ethyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 104841548
N-[[2-[2-(azepan-1-yl)ethyl]-4-ethyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 82430831
N-[[4-(methoxymethyl)-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 82441505
1-[2-[2-(2-methylpiperidin-1-yl)ethyl]-4-propyl-1,3-thiazol-5-yl]ethanone
CID 82433152
N-[[4-ethyl-2-(2-ethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62769163
N-[[4-tert-butyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 82439416
[4-ethyl-5-(propylaminomethyl)-1,3-thiazol-2-yl]methanol
CID 104841463
N-[[4-ethyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82430768
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 64539096

Frequently Asked Questions

What is the IUPAC name of N-[[4-ethyl-2-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[4-ethyl-2-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine (CID 82430727) is N-[[4-ethyl-2-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-ethyl-2-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-ethyl-2-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine is CCCNCc1sc(CCN2CCCCC2C)nc1CC.
What is the InChIKey of N-[[4-ethyl-2-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine?
The InChIKey is NXSYLFOXZFLQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3S/c1-4-10-18-13-16-15(5-2)19-17(21-16)9-12-20-11-7-6-8-14(20)3/h14,18H,4-13H2,1-3H3.
What are the key properties of N-[[4-ethyl-2-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine?
N-[[4-ethyl-2-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine has a molecular weight of 309.52 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-ethyl-2-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 82430727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).