N-[4-(4-methylpiperazin-1-yl)phenyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide

C20H25N5O2S — CID 51213356

IUPACN-[4-(4-methylpiperazin-1-yl)phenyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
SMILESCN1CCN(c2ccc(NC(=O)Cc3csc(N4CCCC4=O)n3)cc2)CC1
InChIInChI=1S/C20H25N5O2S/c1-23-9-11-24(12-10-23)17-6-4-15(5-7-17)21-18(26)13-16-14-28-20(22-16)25-8-2-3-19(25)27/h4-7,14H,2-3,8-13H2,1H3,(H,21,26)
InChIKeyYQDPDQNSMRLAAI-UHFFFAOYSA-N
MW399.52 g/mol
LogP2.20
Rot. Bonds5

About N-[4-(4-methylpiperazin-1-yl)phenyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide

N-[4-(4-methylpiperazin-1-yl)phenyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide (PubChem CID 51213356) has the molecular formula C20H25N5O2S and a molecular weight of 399.52 g/mol. Its IUPAC name is N-[4-(4-methylpiperazin-1-yl)phenyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperazin-1-yl)phenyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
PubChem CID51213356
Molecular FormulaC20H25N5O2S
Molecular Weight399.52 g/mol
Exact Mass399.17
IUPAC NameN-[4-(4-methylpiperazin-1-yl)phenyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
SMILESCN1CCN(c2ccc(NC(=O)Cc3csc(N4CCCC4=O)n3)cc2)CC1
InChIInChI=1S/C20H25N5O2S/c1-23-9-11-24(12-10-23)17-6-4-15(5-7-17)21-18(26)13-16-14-28-20(22-16)25-8-2-3-19(25)27/h4-7,14H,2-3,8-13H2,1H3,(H,21,26)
InChIKeyYQDPDQNSMRLAAI-UHFFFAOYSA-N
XLogP2.20
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 38925497
N-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 26958590
N-(3-amino-4-methoxyphenyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119419612
2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 27825242
N-(3-methylsulfonylphenyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 9072651
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 24664236
N-(2-methoxyphenyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 27824972
N-(2,2-dimethylpropyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 75416990
(2-anilino-2-oxoethyl) 2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate
CID 8667672
methyl 2-[[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]amino]benzoate
CID 18200073
2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-(2-phenylsulfanylphenyl)acetamide
CID 38169001
N-(2,5-dibromophenyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 39166455

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide (CID 51213356) is N-[4-(4-methylpiperazin-1-yl)phenyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[4-(4-methylpiperazin-1-yl)phenyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[4-(4-methylpiperazin-1-yl)phenyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide is CN1CCN(c2ccc(NC(=O)Cc3csc(N4CCCC4=O)n3)cc2)CC1.
What is the InChIKey of N-[4-(4-methylpiperazin-1-yl)phenyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is YQDPDQNSMRLAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2S/c1-23-9-11-24(12-10-23)17-6-4-15(5-7-17)21-18(26)13-16-14-28-20(22-16)25-8-2-3-19(25)27/h4-7,14H,2-3,8-13H2,1H3,(H,21,26).
What are the key properties of N-[4-(4-methylpiperazin-1-yl)phenyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide?
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 399.52 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperazin-1-yl)phenyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 51213356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).