1-[4-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one

C18H26N4O3S — CID 134021655

IUPAC1-[4-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one
SMILESCC(C)(C)C(=O)N1CCN(C(=O)Cc2csc(N3CCCC3=O)n2)CC1
InChIInChI=1S/C18H26N4O3S/c1-18(2,3)16(25)21-9-7-20(8-10-21)15(24)11-13-12-26-17(19-13)22-6-4-5-14(22)23/h12H,4-11H2,1-3H3
InChIKeyQWDIAFFJMZVSQZ-UHFFFAOYSA-N
MW378.50 g/mol
LogP1.53
Rot. Bonds3

About 1-[4-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one

1-[4-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one (PubChem CID 134021655) has the molecular formula C18H26N4O3S and a molecular weight of 378.50 g/mol. Its IUPAC name is 1-[4-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one
PubChem CID134021655
Molecular FormulaC18H26N4O3S
Molecular Weight378.50 g/mol
Exact Mass378.17
IUPAC Name1-[4-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one
SMILESCC(C)(C)C(=O)N1CCN(C(=O)Cc2csc(N3CCCC3=O)n2)CC1
InChIInChI=1S/C18H26N4O3S/c1-18(2,3)16(25)21-9-7-20(8-10-21)15(24)11-13-12-26-17(19-13)22-6-4-5-14(22)23/h12H,4-11H2,1-3H3
InChIKeyQWDIAFFJMZVSQZ-UHFFFAOYSA-N
XLogP1.53
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[4-(4-Methyl-1,3-thiazol-2-yl)piperazin-1-yl]propyl]pyrrolidin-2-one
CID 47524156
1-[3-[4-(4-Methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]-3-oxopropyl]pyrrolidin-2-one
CID 53541370
N-(4-(2-(ethylamino)-2-oxoethyl)thiazol-2-yl)pivalamide
CID 41227694
N-Cyclopentyl-N'-{4-[2-oxo-2-(1-piperidinyl)ethyl]-1,3-thiazol-2-YL}urea
CID 27545802
N-cyclopropyl-N-ethyl-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 71898483
N-(2,2-dimethylpropyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 75416990
1-[4-[4-[4-(Trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl]butyl]pyrrolidin-2-one
CID 13747760
2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 40169278
1-[4-[2-[4-(2,2-Difluoroethyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]imidazolidin-2-one
CID 49070186
N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 55716183
N-butyl-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 55763563
1-[4-[2-Oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one
CID 60357316

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one (CID 134021655) is 1-[4-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one is CC(C)(C)C(=O)N1CCN(C(=O)Cc2csc(N3CCCC3=O)n2)CC1.
What is the InChIKey of 1-[4-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one?
The InChIKey is QWDIAFFJMZVSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3S/c1-18(2,3)16(25)21-9-7-20(8-10-21)15(24)11-13-12-26-17(19-13)22-6-4-5-14(22)23/h12H,4-11H2,1-3H3.
What are the key properties of 1-[4-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one?
1-[4-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one has a molecular weight of 378.50 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 134021655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).