1-(2-amino-4-methyl-4,5-dihydro-1,3-thiazol-5-yl)-3-piperidin-1-ylpropan-1-one

C12H21N3OS — CID 10400145

IUPAC1-(2-amino-4-methyl-4,5-dihydro-1,3-thiazol-5-yl)-3-piperidin-1-ylpropan-1-one
SMILESCC1N=C(N)SC1C(=O)CCN1CCCCC1
InChIInChI=1S/C12H21N3OS/c1-9-11(17-12(13)14-9)10(16)5-8-15-6-3-2-4-7-15/h9,11H,2-8H2,1H3,(H2,13,14)
InChIKeyZQUXAWQFRDRPRT-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.25
Rot. Bonds4

About 1-(2-amino-4-methyl-4,5-dihydro-1,3-thiazol-5-yl)-3-piperidin-1-ylpropan-1-one

1-(2-amino-4-methyl-4,5-dihydro-1,3-thiazol-5-yl)-3-piperidin-1-ylpropan-1-one (PubChem CID 10400145) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 1-(2-amino-4-methyl-4,5-dihydro-1,3-thiazol-5-yl)-3-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(2-amino-4-methyl-4,5-dihydro-1,3-thiazol-5-yl)-3-piperidin-1-ylpropan-1-one
PubChem CID10400145
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name1-(2-amino-4-methyl-4,5-dihydro-1,3-thiazol-5-yl)-3-piperidin-1-ylpropan-1-one
SMILESCC1N=C(N)SC1C(=O)CCN1CCCCC1
InChIInChI=1S/C12H21N3OS/c1-9-11(17-12(13)14-9)10(16)5-8-15-6-3-2-4-7-15/h9,11H,2-8H2,1H3,(H2,13,14)
InChIKeyZQUXAWQFRDRPRT-UHFFFAOYSA-N
XLogP1.25
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-methyl-4,5-dihydro-1,3-thiazol-5-yl)-3-piperidin-1-ylpropan-1-one?
The IUPAC name of 1-(2-amino-4-methyl-4,5-dihydro-1,3-thiazol-5-yl)-3-piperidin-1-ylpropan-1-one (CID 10400145) is 1-(2-amino-4-methyl-4,5-dihydro-1,3-thiazol-5-yl)-3-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 1-(2-amino-4-methyl-4,5-dihydro-1,3-thiazol-5-yl)-3-piperidin-1-ylpropan-1-one?
The canonical SMILES for 1-(2-amino-4-methyl-4,5-dihydro-1,3-thiazol-5-yl)-3-piperidin-1-ylpropan-1-one is CC1N=C(N)SC1C(=O)CCN1CCCCC1.
What is the InChIKey of 1-(2-amino-4-methyl-4,5-dihydro-1,3-thiazol-5-yl)-3-piperidin-1-ylpropan-1-one?
The InChIKey is ZQUXAWQFRDRPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-9-11(17-12(13)14-9)10(16)5-8-15-6-3-2-4-7-15/h9,11H,2-8H2,1H3,(H2,13,14).
What are the key properties of 1-(2-amino-4-methyl-4,5-dihydro-1,3-thiazol-5-yl)-3-piperidin-1-ylpropan-1-one?
1-(2-amino-4-methyl-4,5-dihydro-1,3-thiazol-5-yl)-3-piperidin-1-ylpropan-1-one has a molecular weight of 255.39 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-methyl-4,5-dihydro-1,3-thiazol-5-yl)-3-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 10400145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).