1-(2-piperidin-1-yl-1,3-thiazol-5-yl)butan-2-amine

C12H21N3S — CID 170889356

IUPAC1-(2-piperidin-1-yl-1,3-thiazol-5-yl)butan-2-amine
SMILESCCC(N)Cc1cnc(N2CCCCC2)s1
InChIInChI=1S/C12H21N3S/c1-2-10(13)8-11-9-14-12(16-11)15-6-4-3-5-7-15/h9-10H,2-8,13H2,1H3
InChIKeyZULPTMVGLHLULY-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.41
Rot. Bonds4

About 1-(2-piperidin-1-yl-1,3-thiazol-5-yl)butan-2-amine

1-(2-piperidin-1-yl-1,3-thiazol-5-yl)butan-2-amine (PubChem CID 170889356) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 1-(2-piperidin-1-yl-1,3-thiazol-5-yl)butan-2-amine.

Molecular Properties

Compound Name1-(2-piperidin-1-yl-1,3-thiazol-5-yl)butan-2-amine
PubChem CID170889356
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name1-(2-piperidin-1-yl-1,3-thiazol-5-yl)butan-2-amine
SMILESCCC(N)Cc1cnc(N2CCCCC2)s1
InChIInChI=1S/C12H21N3S/c1-2-10(13)8-11-9-14-12(16-11)15-6-4-3-5-7-15/h9-10H,2-8,13H2,1H3
InChIKeyZULPTMVGLHLULY-UHFFFAOYSA-N
XLogP2.41
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-piperidin-1-yl-1,3-thiazol-5-yl)butan-2-amine?
The IUPAC name of 1-(2-piperidin-1-yl-1,3-thiazol-5-yl)butan-2-amine (CID 170889356) is 1-(2-piperidin-1-yl-1,3-thiazol-5-yl)butan-2-amine.
What is the SMILES notation for 1-(2-piperidin-1-yl-1,3-thiazol-5-yl)butan-2-amine?
The canonical SMILES for 1-(2-piperidin-1-yl-1,3-thiazol-5-yl)butan-2-amine is CCC(N)Cc1cnc(N2CCCCC2)s1.
What is the InChIKey of 1-(2-piperidin-1-yl-1,3-thiazol-5-yl)butan-2-amine?
The InChIKey is ZULPTMVGLHLULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-2-10(13)8-11-9-14-12(16-11)15-6-4-3-5-7-15/h9-10H,2-8,13H2,1H3.
What are the key properties of 1-(2-piperidin-1-yl-1,3-thiazol-5-yl)butan-2-amine?
1-(2-piperidin-1-yl-1,3-thiazol-5-yl)butan-2-amine has a molecular weight of 239.39 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperidin-1-yl-1,3-thiazol-5-yl)butan-2-amine is sourced from PubChem (CID 170889356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).