2-[1-(aminomethyl)cyclobutyl]-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide

C12H19N3OS — CID 81168800

IUPAC2-[1-(aminomethyl)cyclobutyl]-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
SMILESNCC1(CC(=O)NCCc2nccs2)CCC1
InChIInChI=1S/C12H19N3OS/c13-9-12(3-1-4-12)8-10(16)14-5-2-11-15-6-7-17-11/h6-7H,1-5,8-9,13H2,(H,14,16)
InChIKeyGOYAZBYOPVGODF-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.32
Rot. Bonds6

About 2-[1-(aminomethyl)cyclobutyl]-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide

2-[1-(aminomethyl)cyclobutyl]-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide (PubChem CID 81168800) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclobutyl]-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclobutyl]-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
PubChem CID81168800
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name2-[1-(aminomethyl)cyclobutyl]-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
SMILESNCC1(CC(=O)NCCc2nccs2)CCC1
InChIInChI=1S/C12H19N3OS/c13-9-12(3-1-4-12)8-10(16)14-5-2-11-15-6-7-17-11/h6-7H,1-5,8-9,13H2,(H,14,16)
InChIKeyGOYAZBYOPVGODF-UHFFFAOYSA-N
XLogP1.32
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(aminomethyl)cyclobutyl]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 81168695
2-[1-[2-oxo-2-(1,3-thiazol-2-ylmethylamino)ethyl]cyclopentyl]acetic acid
CID 61283476
2-piperidin-4-yl-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
CID 63240285
1-[[2-(1,3-thiazol-2-yl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 113311421
2-[1-(aminomethyl)cyclohexyl]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 104678292
1-[(E)-N'-hydroxycarbamimidoyl]-N-[2-(1,3-thiazol-2-yl)ethyl]cyclobutane-1-carboxamide
CID 80593805
2-[1-(aminomethyl)cyclobutyl]-N-[2-(carbamoylamino)ethyl]acetamide
CID 83110025
2-[1-(aminomethyl)cyclobutyl]-N-(3-aminopropyl)acetamide
CID 81171928
2-[1-(aminomethyl)cyclobutyl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide
CID 81168792
2-[1-(aminomethyl)cyclobutyl]-N-[(3-ethylthiophen-2-yl)methyl]acetamide
CID 81169154
2-[1-(aminomethyl)cyclobutyl]-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide
CID 106105007
2-[1-(aminomethyl)cyclobutyl]-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 81168802

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide (CID 81168800) is 2-[1-(aminomethyl)cyclobutyl]-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclobutyl]-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclobutyl]-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide is NCC1(CC(=O)NCCc2nccs2)CCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclobutyl]-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide?
The InChIKey is GOYAZBYOPVGODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c13-9-12(3-1-4-12)8-10(16)14-5-2-11-15-6-7-17-11/h6-7H,1-5,8-9,13H2,(H,14,16).
What are the key properties of 2-[1-(aminomethyl)cyclobutyl]-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide?
2-[1-(aminomethyl)cyclobutyl]-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide has a molecular weight of 253.37 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclobutyl]-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 81168800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).