N-tert-butyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide

C13H22N4OS — CID 51194247

IUPACN-tert-butyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
SMILESCC(C)(C)NC(=O)CN1CCN(c2nccs2)CC1
InChIInChI=1S/C13H22N4OS/c1-13(2,3)15-11(18)10-16-5-7-17(8-6-16)12-14-4-9-19-12/h4,9H,5-8,10H2,1-3H3,(H,15,18)
InChIKeyXFHSLHWYIYWFMC-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.18
Rot. Bonds3

About N-tert-butyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide

N-tert-butyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide (PubChem CID 51194247) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is N-tert-butyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
PubChem CID51194247
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC NameN-tert-butyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
SMILESCC(C)(C)NC(=O)CN1CCN(c2nccs2)CC1
InChIInChI=1S/C13H22N4OS/c1-13(2,3)15-11(18)10-16-5-7-17(8-6-16)12-14-4-9-19-12/h4,9H,5-8,10H2,1-3H3,(H,15,18)
InChIKeyXFHSLHWYIYWFMC-UHFFFAOYSA-N
XLogP1.18
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 29439867
2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 52510657
N-(4-acetylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 17444873
2,2-dimethyl-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanoic acid
CID 62270105
2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 47017403
(2R)-N-tert-butyl-2-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propanamide
CID 94796371
N-(3,4-dichlorophenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 18136524
N-[[4-(dimethylamino)phenyl]methyl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 18136677
2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 17425103
N-(2-ethoxyphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 36871528
ethyl 4-[[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetyl]amino]butanoate
CID 86915626
3,3-dimethyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-one
CID 70866199

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-tert-butyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide (CID 51194247) is N-tert-butyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-tert-butyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide is CC(C)(C)NC(=O)CN1CCN(c2nccs2)CC1.
What is the InChIKey of N-tert-butyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide?
The InChIKey is XFHSLHWYIYWFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-13(2,3)15-11(18)10-16-5-7-17(8-6-16)12-14-4-9-19-12/h4,9H,5-8,10H2,1-3H3,(H,15,18).
What are the key properties of N-tert-butyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide?
N-tert-butyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide has a molecular weight of 282.41 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 51194247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).