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

C13H23N3S — CID 115089632

IUPAC2-[2-(2-piperidin-1-ylethyl)-1,3-thiazol-4-yl]propan-1-amine
SMILESCC(CN)c1csc(CCN2CCCCC2)n1
InChIInChI=1S/C13H23N3S/c1-11(9-14)12-10-17-13(15-12)5-8-16-6-3-2-4-7-16/h10-11H,2-9,14H2,1H3
InChIKeyMYIFJTLUCYIMLK-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.23
Rot. Bonds5

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

2-[2-(2-piperidin-1-ylethyl)-1,3-thiazol-4-yl]propan-1-amine (PubChem CID 115089632) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is 2-[2-(2-piperidin-1-ylethyl)-1,3-thiazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name2-[2-(2-piperidin-1-ylethyl)-1,3-thiazol-4-yl]propan-1-amine
PubChem CID115089632
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name2-[2-(2-piperidin-1-ylethyl)-1,3-thiazol-4-yl]propan-1-amine
SMILESCC(CN)c1csc(CCN2CCCCC2)n1
InChIInChI=1S/C13H23N3S/c1-11(9-14)12-10-17-13(15-12)5-8-16-6-3-2-4-7-16/h10-11H,2-9,14H2,1H3
InChIKeyMYIFJTLUCYIMLK-UHFFFAOYSA-N
XLogP2.23
TPSA42.15 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 ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-thiazol-4-yl]propan-1-amine
CID 115088807
2-[2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-4-yl]propan-2-amine
CID 82515335
2-[2-(thiolan-2-ylmethyl)-1,3-thiazol-4-yl]propan-1-amine
CID 115088655
2-[2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-4-yl]propan-2-ol
CID 82515336
1-[4-propan-2-yl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]ethanamine
CID 82435434
N-methyl-1-[2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-4-yl]methanamine
CID 82193993
2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carbonitrile
CID 82515352
1-[2-[2-(azepan-1-yl)ethyl]-4-ethyl-1,3-thiazol-5-yl]ethanamine
CID 82430846
1-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propan-2-amine
CID 82044404
2-[2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-4-yl]acetonitrile
CID 82515340
1-[2-(2-morpholin-4-ylethyl)-1,3-thiazol-4-yl]propan-2-amine
CID 115089637
[2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-4-yl]methanamine
CID 82515255

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-piperidin-1-ylethyl)-1,3-thiazol-4-yl]propan-1-amine?
The IUPAC name of 2-[2-(2-piperidin-1-ylethyl)-1,3-thiazol-4-yl]propan-1-amine (CID 115089632) is 2-[2-(2-piperidin-1-ylethyl)-1,3-thiazol-4-yl]propan-1-amine.
What is the SMILES notation for 2-[2-(2-piperidin-1-ylethyl)-1,3-thiazol-4-yl]propan-1-amine?
The canonical SMILES for 2-[2-(2-piperidin-1-ylethyl)-1,3-thiazol-4-yl]propan-1-amine is CC(CN)c1csc(CCN2CCCCC2)n1.
What is the InChIKey of 2-[2-(2-piperidin-1-ylethyl)-1,3-thiazol-4-yl]propan-1-amine?
The InChIKey is MYIFJTLUCYIMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-11(9-14)12-10-17-13(15-12)5-8-16-6-3-2-4-7-16/h10-11H,2-9,14H2,1H3.
What are the key properties of 2-[2-(2-piperidin-1-ylethyl)-1,3-thiazol-4-yl]propan-1-amine?
2-[2-(2-piperidin-1-ylethyl)-1,3-thiazol-4-yl]propan-1-amine has a molecular weight of 253.41 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-piperidin-1-ylethyl)-1,3-thiazol-4-yl]propan-1-amine is sourced from PubChem (CID 115089632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).