(5-amino-3-piperidin-4-ylpyrazol-1-yl)-(1,3-thiazol-4-yl)methanone

C12H15N5OS — CID 135306105

IUPAC(5-amino-3-piperidin-4-ylpyrazol-1-yl)-(1,3-thiazol-4-yl)methanone
SMILESNc1cc(C2CCNCC2)nn1C(=O)c1cscn1
InChIInChI=1S/C12H15N5OS/c13-11-5-9(8-1-3-14-4-2-8)16-17(11)12(18)10-6-19-7-15-10/h5-8,14H,1-4,13H2
InChIKeyAGWUIUHRMGFYAE-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.08
Rot. Bonds2

About (5-amino-3-piperidin-4-ylpyrazol-1-yl)-(1,3-thiazol-4-yl)methanone

(5-amino-3-piperidin-4-ylpyrazol-1-yl)-(1,3-thiazol-4-yl)methanone (PubChem CID 135306105) has the molecular formula C12H15N5OS and a molecular weight of 277.35 g/mol. Its IUPAC name is (5-amino-3-piperidin-4-ylpyrazol-1-yl)-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name(5-amino-3-piperidin-4-ylpyrazol-1-yl)-(1,3-thiazol-4-yl)methanone
PubChem CID135306105
Molecular FormulaC12H15N5OS
Molecular Weight277.35 g/mol
Exact Mass277.10
IUPAC Name(5-amino-3-piperidin-4-ylpyrazol-1-yl)-(1,3-thiazol-4-yl)methanone
SMILESNc1cc(C2CCNCC2)nn1C(=O)c1cscn1
InChIInChI=1S/C12H15N5OS/c13-11-5-9(8-1-3-14-4-2-8)16-17(11)12(18)10-6-19-7-15-10/h5-8,14H,1-4,13H2
InChIKeyAGWUIUHRMGFYAE-UHFFFAOYSA-N
XLogP1.08
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (5-amino-3-piperidin-4-ylpyrazol-1-yl)-(1,3-thiazol-4-yl)methanone?
The IUPAC name of (5-amino-3-piperidin-4-ylpyrazol-1-yl)-(1,3-thiazol-4-yl)methanone (CID 135306105) is (5-amino-3-piperidin-4-ylpyrazol-1-yl)-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for (5-amino-3-piperidin-4-ylpyrazol-1-yl)-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for (5-amino-3-piperidin-4-ylpyrazol-1-yl)-(1,3-thiazol-4-yl)methanone is Nc1cc(C2CCNCC2)nn1C(=O)c1cscn1.
What is the InChIKey of (5-amino-3-piperidin-4-ylpyrazol-1-yl)-(1,3-thiazol-4-yl)methanone?
The InChIKey is AGWUIUHRMGFYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5OS/c13-11-5-9(8-1-3-14-4-2-8)16-17(11)12(18)10-6-19-7-15-10/h5-8,14H,1-4,13H2.
What are the key properties of (5-amino-3-piperidin-4-ylpyrazol-1-yl)-(1,3-thiazol-4-yl)methanone?
(5-amino-3-piperidin-4-ylpyrazol-1-yl)-(1,3-thiazol-4-yl)methanone has a molecular weight of 277.35 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-3-piperidin-4-ylpyrazol-1-yl)-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 135306105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).