N-[4-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]acetamide

C17H25N5O3S — CID 59698852

IUPACN-[4-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(CC(=O)N2CCN(CC(=O)N3CCCC3)CC2)cs1
InChIInChI=1S/C17H25N5O3S/c1-13(23)18-17-19-14(12-26-17)10-15(24)22-8-6-20(7-9-22)11-16(25)21-4-2-3-5-21/h12H,2-11H2,1H3,(H,18,19,23)
InChIKeyNAOJISUGWMCRRT-UHFFFAOYSA-N
MW379.49 g/mol
LogP0.41
Rot. Bonds5

About N-[4-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]acetamide

N-[4-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 59698852) has the molecular formula C17H25N5O3S and a molecular weight of 379.49 g/mol. Its IUPAC name is N-[4-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]acetamide
PubChem CID59698852
Molecular FormulaC17H25N5O3S
Molecular Weight379.49 g/mol
Exact Mass379.17
IUPAC NameN-[4-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(CC(=O)N2CCN(CC(=O)N3CCCC3)CC2)cs1
InChIInChI=1S/C17H25N5O3S/c1-13(23)18-17-19-14(12-26-17)10-15(24)22-8-6-20(7-9-22)11-16(25)21-4-2-3-5-21/h12H,2-11H2,1H3,(H,18,19,23)
InChIKeyNAOJISUGWMCRRT-UHFFFAOYSA-N
XLogP0.41
TPSA85.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 55441966
N-[4-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]acetamide
CID 29173280
2,2-dimethyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-yl]propanamide
CID 41227592
2-[4-[(2-acetamido-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetic acid
CID 43521730
1-cyclohexyl-3-[4-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazol-2-yl]urea
CID 41211603
2-[4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 78803722
1-[4-[2-(azepan-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-3-cyclopentylurea
CID 41211659
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone
CID 55452896
3,5-dimethoxy-N-[4-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazol-2-yl]benzamide
CID 41226438
1-(4-benzylpiperazin-1-yl)-2-[2-(methylamino)-1,3-thiazol-4-yl]ethanone
CID 110386215
N-[4-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 41160073
N-[4-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide;dihydrochloride
CID 119416389

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]acetamide (CID 59698852) is N-[4-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(CC(=O)N2CCN(CC(=O)N3CCCC3)CC2)cs1.
What is the InChIKey of N-[4-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is NAOJISUGWMCRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3S/c1-13(23)18-17-19-14(12-26-17)10-15(24)22-8-6-20(7-9-22)11-16(25)21-4-2-3-5-21/h12H,2-11H2,1H3,(H,18,19,23).
What are the key properties of N-[4-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]acetamide?
N-[4-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 379.49 g/mol, XLogP of 0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 59698852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).