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

C13H23N3S — CID 115879085

IUPAC2-piperidin-1-yl-N-[1-(1,3-thiazol-4-yl)ethyl]propan-1-amine
SMILESCC(NCC(C)N1CCCCC1)c1cscn1
InChIInChI=1S/C13H23N3S/c1-11(16-6-4-3-5-7-16)8-14-12(2)13-9-17-10-15-13/h9-12,14H,3-8H2,1-2H3
InChIKeyGMNRTAGQUBJMQM-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.67
Rot. Bonds5

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

2-piperidin-1-yl-N-[1-(1,3-thiazol-4-yl)ethyl]propan-1-amine (PubChem CID 115879085) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is 2-piperidin-1-yl-N-[1-(1,3-thiazol-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name2-piperidin-1-yl-N-[1-(1,3-thiazol-4-yl)ethyl]propan-1-amine
PubChem CID115879085
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name2-piperidin-1-yl-N-[1-(1,3-thiazol-4-yl)ethyl]propan-1-amine
SMILESCC(NCC(C)N1CCCCC1)c1cscn1
InChIInChI=1S/C13H23N3S/c1-11(16-6-4-3-5-7-16)8-14-12(2)13-9-17-10-15-13/h9-12,14H,3-8H2,1-2H3
InChIKeyGMNRTAGQUBJMQM-UHFFFAOYSA-N
XLogP2.67
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 78968604
2-piperidin-1-yl-N-(1-thiophen-3-ylethyl)propan-1-amine
CID 62089125
N-[(1-methylcyclohexyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 103903502
N-(cyclopentylmethyl)-1-(1,3-thiazol-4-yl)ethanamine
CID 115879116
N,N-dimethyl-1-[[1-(1,3-thiazol-4-yl)ethylamino]methyl]cyclopentan-1-amine
CID 113344938
N-[1-(1,3-thiazol-4-yl)ethyl]propan-2-amine
CID 46784250
N-[1-(1,3-thiazol-4-yl)ethyl]-2-thiophen-3-ylpropan-1-amine
CID 115879423
N-[1-(3-methylpyrazin-2-yl)ethyl]-2-pyrrolidin-1-ylpropan-1-amine
CID 114080351
N-[(1-methylsulfanylcyclobutyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 107269797
N-methyl-1-(1,3-thiazol-4-yl)ethanamine
CID 46784246
N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 113486901
N-(oxan-4-ylmethyl)-1-(1,3-thiazol-4-yl)ethanamine
CID 115879207

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-N-[1-(1,3-thiazol-4-yl)ethyl]propan-1-amine?
The IUPAC name of 2-piperidin-1-yl-N-[1-(1,3-thiazol-4-yl)ethyl]propan-1-amine (CID 115879085) is 2-piperidin-1-yl-N-[1-(1,3-thiazol-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for 2-piperidin-1-yl-N-[1-(1,3-thiazol-4-yl)ethyl]propan-1-amine?
The canonical SMILES for 2-piperidin-1-yl-N-[1-(1,3-thiazol-4-yl)ethyl]propan-1-amine is CC(NCC(C)N1CCCCC1)c1cscn1.
What is the InChIKey of 2-piperidin-1-yl-N-[1-(1,3-thiazol-4-yl)ethyl]propan-1-amine?
The InChIKey is GMNRTAGQUBJMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-11(16-6-4-3-5-7-16)8-14-12(2)13-9-17-10-15-13/h9-12,14H,3-8H2,1-2H3.
What are the key properties of 2-piperidin-1-yl-N-[1-(1,3-thiazol-4-yl)ethyl]propan-1-amine?
2-piperidin-1-yl-N-[1-(1,3-thiazol-4-yl)ethyl]propan-1-amine has a molecular weight of 253.41 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-N-[1-(1,3-thiazol-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 115879085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).