1-(1-propylpiperidin-3-yl)-N-(1,3-thiazol-4-ylmethyl)ethanamine

C14H25N3S — CID 63829149

IUPAC1-(1-propylpiperidin-3-yl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
SMILESCCCN1CCCC(C(C)NCc2cscn2)C1
InChIInChI=1S/C14H25N3S/c1-3-6-17-7-4-5-13(9-17)12(2)15-8-14-10-18-11-16-14/h10-13,15H,3-9H2,1-2H3
InChIKeyCWSLUQNREDBPLK-UHFFFAOYSA-N
MW267.44 g/mol
LogP2.74
Rot. Bonds6

About 1-(1-propylpiperidin-3-yl)-N-(1,3-thiazol-4-ylmethyl)ethanamine

1-(1-propylpiperidin-3-yl)-N-(1,3-thiazol-4-ylmethyl)ethanamine (PubChem CID 63829149) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is 1-(1-propylpiperidin-3-yl)-N-(1,3-thiazol-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(1-propylpiperidin-3-yl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
PubChem CID63829149
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC Name1-(1-propylpiperidin-3-yl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
SMILESCCCN1CCCC(C(C)NCc2cscn2)C1
InChIInChI=1S/C14H25N3S/c1-3-6-17-7-4-5-13(9-17)12(2)15-8-14-10-18-11-16-14/h10-13,15H,3-9H2,1-2H3
InChIKeyCWSLUQNREDBPLK-UHFFFAOYSA-N
XLogP2.74
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-propylpiperidin-3-yl)-N-(1,3-thiazol-4-ylmethyl)ethanamine?
The IUPAC name of 1-(1-propylpiperidin-3-yl)-N-(1,3-thiazol-4-ylmethyl)ethanamine (CID 63829149) is 1-(1-propylpiperidin-3-yl)-N-(1,3-thiazol-4-ylmethyl)ethanamine.
What is the SMILES notation for 1-(1-propylpiperidin-3-yl)-N-(1,3-thiazol-4-ylmethyl)ethanamine?
The canonical SMILES for 1-(1-propylpiperidin-3-yl)-N-(1,3-thiazol-4-ylmethyl)ethanamine is CCCN1CCCC(C(C)NCc2cscn2)C1.
What is the InChIKey of 1-(1-propylpiperidin-3-yl)-N-(1,3-thiazol-4-ylmethyl)ethanamine?
The InChIKey is CWSLUQNREDBPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-3-6-17-7-4-5-13(9-17)12(2)15-8-14-10-18-11-16-14/h10-13,15H,3-9H2,1-2H3.
What are the key properties of 1-(1-propylpiperidin-3-yl)-N-(1,3-thiazol-4-ylmethyl)ethanamine?
1-(1-propylpiperidin-3-yl)-N-(1,3-thiazol-4-ylmethyl)ethanamine has a molecular weight of 267.44 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propylpiperidin-3-yl)-N-(1,3-thiazol-4-ylmethyl)ethanamine is sourced from PubChem (CID 63829149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).