N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine

C16H29N3S — CID 106038848

IUPACN-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine
SMILESCCCN1CCC(C(C)NCCc2csc(C)n2)CC1
InChIInChI=1S/C16H29N3S/c1-4-9-19-10-6-15(7-11-19)13(2)17-8-5-16-12-20-14(3)18-16/h12-13,15,17H,4-11H2,1-3H3
InChIKeyTVHRGVUCEROEGI-UHFFFAOYSA-N
MW295.50 g/mol
LogP3.09
Rot. Bonds7

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

N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine (PubChem CID 106038848) has the molecular formula C16H29N3S and a molecular weight of 295.50 g/mol. Its IUPAC name is N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine.

Molecular Properties

Compound NameN-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine
PubChem CID106038848
Molecular FormulaC16H29N3S
Molecular Weight295.50 g/mol
Exact Mass295.21
IUPAC NameN-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine
SMILESCCCN1CCC(C(C)NCCc2csc(C)n2)CC1
InChIInChI=1S/C16H29N3S/c1-4-9-19-10-6-15(7-11-19)13(2)17-8-5-16-12-20-14(3)18-16/h12-13,15,17H,4-11H2,1-3H3
InChIKeyTVHRGVUCEROEGI-UHFFFAOYSA-N
XLogP3.09
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.50
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-propylpiperidin-4-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine
CID 55175412
2-methyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[(1-propylpyrrolidin-3-yl)methyl]guanidine
CID 111934749
2-methyl-4-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]ethyl]-1,3-thiazole
CID 129059210
1-(1-adamantyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 106039302
tert-butyl (2S)-2-[(1S)-1-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethyl]pyrrolidine-1-carboxylate
CID 97341623
N-[1-(1-propylpiperidin-4-yl)ethyl]octan-1-amine
CID 115566698
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 106045268
3-ethylsulfanyl-N-[1-(1-propylpiperidin-4-yl)ethyl]propan-1-amine
CID 114247777
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(2,4,5-trimethylphenyl)ethanamine
CID 103777248
N'-[1-(1-propylpiperidin-4-yl)ethyl]butane-1,4-diamine
CID 60893438
2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanenitrile
CID 106045354
2-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 60760021

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine?
The IUPAC name of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine (CID 106038848) is N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine.
What is the SMILES notation for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine?
The canonical SMILES for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine is CCCN1CCC(C(C)NCCc2csc(C)n2)CC1.
What is the InChIKey of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine?
The InChIKey is TVHRGVUCEROEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3S/c1-4-9-19-10-6-15(7-11-19)13(2)17-8-5-16-12-20-14(3)18-16/h12-13,15,17H,4-11H2,1-3H3.
What are the key properties of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine?
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine has a molecular weight of 295.50 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine is sourced from PubChem (CID 106038848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).