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

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

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Related Compounds

1-[3-amino-6-(2-aminopyrimidin-4-yl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone
CID 158451136
2-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-1-(3-amino-6-pyridin-3-ylpyrazin-2-yl)ethanone
CID 147607647
1-[3-amino-6-(2-chlorophenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone
CID 149024931
1-[3-amino-6-(2,6-difluorophenyl)-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone
CID 147319320
6-[5-amino-6-[2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]acetyl]-2-pyridinyl]pyridine-3-carboxamide
CID 157102130
2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[3-amino-6-[4-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]ethanone
CID 158447913
2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-1-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]ethanone
CID 147999209
5-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-benzyl-1,3-thiazole-4-carboxamide
CID 51001945
5-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 51002498
1-[3-amino-6-(2,6-difluoro-3-propan-2-yloxyphenyl)-5-fluoro-2-pyridinyl]-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone
CID 157302488
1-(3-amino-6-methylpyrazin-2-yl)-2-[2-(3-aminopiperidin-1-yl)phenyl]ethanone
CID 146797458
1-(2-amino-6-bromofuro[3,2-b]pyridin-3-yl)-2-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]ethanone
CID 159405423

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).