2-[2-(2-acetamido-1,3-thiazol-4-yl)piperidin-1-yl]acetamide

C12H18N4O2S — CID 155985678

IUPAC2-[2-(2-acetamido-1,3-thiazol-4-yl)piperidin-1-yl]acetamide
SMILESCC(=O)Nc1nc(C2CCCCN2CC(N)=O)cs1
InChIInChI=1S/C12H18N4O2S/c1-8(17)14-12-15-9(7-19-12)10-4-2-3-5-16(10)6-11(13)18/h7,10H,2-6H2,1H3,(H2,13,18)(H,14,15,17)
InChIKeySJMNPMQJQJAYSO-UHFFFAOYSA-N
MW282.37 g/mol
LogP1.11
Rot. Bonds4

About 2-[2-(2-acetamido-1,3-thiazol-4-yl)piperidin-1-yl]acetamide

2-[2-(2-acetamido-1,3-thiazol-4-yl)piperidin-1-yl]acetamide (PubChem CID 155985678) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is 2-[2-(2-acetamido-1,3-thiazol-4-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[2-(2-acetamido-1,3-thiazol-4-yl)piperidin-1-yl]acetamide
PubChem CID155985678
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC Name2-[2-(2-acetamido-1,3-thiazol-4-yl)piperidin-1-yl]acetamide
SMILESCC(=O)Nc1nc(C2CCCCN2CC(N)=O)cs1
InChIInChI=1S/C12H18N4O2S/c1-8(17)14-12-15-9(7-19-12)10-4-2-3-5-16(10)6-11(13)18/h7,10H,2-6H2,1H3,(H2,13,18)(H,14,15,17)
InChIKeySJMNPMQJQJAYSO-UHFFFAOYSA-N
XLogP1.11
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-yl]acetamide
CID 155986787
2-[2-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]acetamide
CID 110270492
2-[2-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]acetamide
CID 118740364
1-[(2S)-2-(2-amino-1,3-thiazol-4-yl)piperidin-1-yl]ethanone
CID 124984814
1-[(2R)-2-(2-amino-1,3-thiazol-4-yl)piperidin-1-yl]ethanone
CID 124984813
tert-butyl (2R)-2-(2-acetamido-1,3-thiazol-4-yl)pyrrolidine-1-carboxylate;tert-butyl (2R)-2-(2-amino-1,3-thiazol-4-yl)pyrrolidine-1-carboxylate
CID 159351798
N-[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 51226338
1-(2-methylpiperidin-1-yl)-2-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]ethanone
CID 136533413
N-[4-[[2-(methylaminomethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 63250166
4-tert-butyl-N-[4-[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]pyrrolidin-2-yl]-1,3-thiazol-2-yl]benzamide
CID 132773648
N-(4-methyl-1,2,5-oxadiazol-3-yl)-2-[2-[2-(pyrimidin-2-ylamino)-1,3-thiazol-4-yl]piperidin-1-yl]acetamide
CID 175655896
2-[(2R)-2-[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]acetamide
CID 95843433

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-acetamido-1,3-thiazol-4-yl)piperidin-1-yl]acetamide?
The IUPAC name of 2-[2-(2-acetamido-1,3-thiazol-4-yl)piperidin-1-yl]acetamide (CID 155985678) is 2-[2-(2-acetamido-1,3-thiazol-4-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[2-(2-acetamido-1,3-thiazol-4-yl)piperidin-1-yl]acetamide?
The canonical SMILES for 2-[2-(2-acetamido-1,3-thiazol-4-yl)piperidin-1-yl]acetamide is CC(=O)Nc1nc(C2CCCCN2CC(N)=O)cs1.
What is the InChIKey of 2-[2-(2-acetamido-1,3-thiazol-4-yl)piperidin-1-yl]acetamide?
The InChIKey is SJMNPMQJQJAYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c1-8(17)14-12-15-9(7-19-12)10-4-2-3-5-16(10)6-11(13)18/h7,10H,2-6H2,1H3,(H2,13,18)(H,14,15,17).
What are the key properties of 2-[2-(2-acetamido-1,3-thiazol-4-yl)piperidin-1-yl]acetamide?
2-[2-(2-acetamido-1,3-thiazol-4-yl)piperidin-1-yl]acetamide has a molecular weight of 282.37 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-acetamido-1,3-thiazol-4-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 155985678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).