2-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-1-(5-amino-2-piperidin-3-yl-1,3-thiazol-4-yl)ethanone

C20H28N6OS — CID 58182149

IUPAC2-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-1-(5-amino-2-piperidin-3-yl-1,3-thiazol-4-yl)ethanone
SMILESNc1sc(C2CCCNC2)nc1C(=O)Cc1cnccc1N1CCCC(N)C1
InChIInChI=1S/C20H28N6OS/c21-15-4-2-8-26(12-15)16-5-7-24-11-14(16)9-17(27)18-19(22)28-20(25-18)13-3-1-6-23-10-13/h5,7,11,13,15,23H,1-4,6,8-10,12,21-22H2
InChIKeyPJDIHFDGGSMUHC-UHFFFAOYSA-N
MW400.55 g/mol
LogP1.94
Rot. Bonds5

About 2-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-1-(5-amino-2-piperidin-3-yl-1,3-thiazol-4-yl)ethanone

2-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-1-(5-amino-2-piperidin-3-yl-1,3-thiazol-4-yl)ethanone (PubChem CID 58182149) has the molecular formula C20H28N6OS and a molecular weight of 400.55 g/mol. Its IUPAC name is 2-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-1-(5-amino-2-piperidin-3-yl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name2-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-1-(5-amino-2-piperidin-3-yl-1,3-thiazol-4-yl)ethanone
PubChem CID58182149
Molecular FormulaC20H28N6OS
Molecular Weight400.55 g/mol
Exact Mass400.20
IUPAC Name2-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-1-(5-amino-2-piperidin-3-yl-1,3-thiazol-4-yl)ethanone
SMILESNc1sc(C2CCCNC2)nc1C(=O)Cc1cnccc1N1CCCC(N)C1
InChIInChI=1S/C20H28N6OS/c21-15-4-2-8-26(12-15)16-5-7-24-11-14(16)9-17(27)18-19(22)28-20(25-18)13-3-1-6-23-10-13/h5,7,11,13,15,23H,1-4,6,8-10,12,21-22H2
InChIKeyPJDIHFDGGSMUHC-UHFFFAOYSA-N
XLogP1.94
TPSA110.16 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.55
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-1-(5-amino-2-piperidin-3-yl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 2-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-1-(5-amino-2-piperidin-3-yl-1,3-thiazol-4-yl)ethanone (CID 58182149) is 2-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-1-(5-amino-2-piperidin-3-yl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 2-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-1-(5-amino-2-piperidin-3-yl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 2-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-1-(5-amino-2-piperidin-3-yl-1,3-thiazol-4-yl)ethanone is Nc1sc(C2CCCNC2)nc1C(=O)Cc1cnccc1N1CCCC(N)C1.
What is the InChIKey of 2-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-1-(5-amino-2-piperidin-3-yl-1,3-thiazol-4-yl)ethanone?
The InChIKey is PJDIHFDGGSMUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6OS/c21-15-4-2-8-26(12-15)16-5-7-24-11-14(16)9-17(27)18-19(22)28-20(25-18)13-3-1-6-23-10-13/h5,7,11,13,15,23H,1-4,6,8-10,12,21-22H2.
What are the key properties of 2-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-1-(5-amino-2-piperidin-3-yl-1,3-thiazol-4-yl)ethanone?
2-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-1-(5-amino-2-piperidin-3-yl-1,3-thiazol-4-yl)ethanone has a molecular weight of 400.55 g/mol, XLogP of 1.94, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-1-(5-amino-2-piperidin-3-yl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 58182149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).