2-[4-(1-aminoethyl)piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

C13H22N4OS — CID 63596576

IUPAC2-[4-(1-aminoethyl)piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)CN2CCC(C(C)N)CC2)n1
InChIInChI=1S/C13H22N4OS/c1-9-8-19-13(15-9)16-12(18)7-17-5-3-11(4-6-17)10(2)14/h8,10-11H,3-7,14H2,1-2H3,(H,15,16,18)
InChIKeyPXBFZXWAKPPFMX-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.45
Rot. Bonds4

About 2-[4-(1-aminoethyl)piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

2-[4-(1-aminoethyl)piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 63596576) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-[4-(1-aminoethyl)piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(1-aminoethyl)piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID63596576
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC Name2-[4-(1-aminoethyl)piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)CN2CCC(C(C)N)CC2)n1
InChIInChI=1S/C13H22N4OS/c1-9-8-19-13(15-9)16-12(18)7-17-5-3-11(4-6-17)10(2)14/h8,10-11H,3-7,14H2,1-2H3,(H,15,16,18)
InChIKeyPXBFZXWAKPPFMX-UHFFFAOYSA-N
XLogP1.45
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-4-carboxylate
CID 41313078
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 63595182
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;hydrochloride
CID 119905232
2-[4-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid
CID 43521752
2-[1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidin-4-yl]oxyacetic acid
CID 63904542
2-[4-(3-aminopropoxy)piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 79737494
2-(3-aminopiperidin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide;hydrochloride
CID 119910055
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 81490149
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2,6-dimethylphenyl)acetamide;hydrochloride
CID 119920937
N-(4-methyl-1,3-thiazol-2-yl)-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]acetamide
CID 86773480
2-[3-(methylamino)piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 62547767
2-[4-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 34200972

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-aminoethyl)piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4-(1-aminoethyl)piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 63596576) is 2-[4-(1-aminoethyl)piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-(1-aminoethyl)piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-(1-aminoethyl)piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is Cc1csc(NC(=O)CN2CCC(C(C)N)CC2)n1.
What is the InChIKey of 2-[4-(1-aminoethyl)piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is PXBFZXWAKPPFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-9-8-19-13(15-9)16-12(18)7-17-5-3-11(4-6-17)10(2)14/h8,10-11H,3-7,14H2,1-2H3,(H,15,16,18).
What are the key properties of 2-[4-(1-aminoethyl)piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 282.41 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-aminoethyl)piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 63596576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).