N-(3-methoxypropyl)-2-[4-[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]acetamide

C19H29N5O4S — CID 55429014

IUPACN-(3-methoxypropyl)-2-[4-[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]acetamide
SMILESCOCCCNC(=O)CN1CCN(C(=O)Cc2csc(N3CCCC3=O)n2)CC1
InChIInChI=1S/C19H29N5O4S/c1-28-11-3-5-20-16(25)13-22-7-9-23(10-8-22)18(27)12-15-14-29-19(21-15)24-6-2-4-17(24)26/h14H,2-13H2,1H3,(H,20,25)
InChIKeyIQCLXBPYCJFBFW-UHFFFAOYSA-N
MW423.54 g/mol
LogP0.11
Rot. Bonds9

About N-(3-methoxypropyl)-2-[4-[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]acetamide

N-(3-methoxypropyl)-2-[4-[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]acetamide (PubChem CID 55429014) has the molecular formula C19H29N5O4S and a molecular weight of 423.54 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-[4-[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-[4-[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]acetamide
PubChem CID55429014
Molecular FormulaC19H29N5O4S
Molecular Weight423.54 g/mol
Exact Mass423.19
IUPAC NameN-(3-methoxypropyl)-2-[4-[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]acetamide
SMILESCOCCCNC(=O)CN1CCN(C(=O)Cc2csc(N3CCCC3=O)n2)CC1
InChIInChI=1S/C19H29N5O4S/c1-28-11-3-5-20-16(25)13-22-7-9-23(10-8-22)18(27)12-15-14-29-19(21-15)24-6-2-4-17(24)26/h14H,2-13H2,1H3,(H,20,25)
InChIKeyIQCLXBPYCJFBFW-UHFFFAOYSA-N
XLogP0.11
TPSA95.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-methoxypropyl)-2-[4-[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one
CID 134021655
N-[3-(4-methoxyphenyl)propyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 55921192
N-(2,2-dimethylpropyl)-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 75416990
N-(3-methoxypropyl)-2-[4-[(E)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoyl]piperazin-1-yl]acetamide
CID 55491808
1-[4-[2-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one
CID 55518283
N-(2-methoxyethyl)-2-[4-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]acetamide
CID 78817443
N-[(2S)-1-methoxypropan-2-yl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 29354926
N-[2-(4-chlorophenoxy)ethyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 18200509
N-[2-(ethylamino)-2-oxoethyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 9224963
N-[2-(methylamino)propyl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 120831687
1-[4-[2-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one
CID 9162682
1-[4-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one
CID 9476792

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-[4-[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(3-methoxypropyl)-2-[4-[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]acetamide (CID 55429014) is N-(3-methoxypropyl)-2-[4-[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-[4-[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-[4-[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]acetamide is COCCCNC(=O)CN1CCN(C(=O)Cc2csc(N3CCCC3=O)n2)CC1.
What is the InChIKey of N-(3-methoxypropyl)-2-[4-[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]acetamide?
The InChIKey is IQCLXBPYCJFBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O4S/c1-28-11-3-5-20-16(25)13-22-7-9-23(10-8-22)18(27)12-15-14-29-19(21-15)24-6-2-4-17(24)26/h14H,2-13H2,1H3,(H,20,25).
What are the key properties of N-(3-methoxypropyl)-2-[4-[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]acetamide?
N-(3-methoxypropyl)-2-[4-[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]acetamide has a molecular weight of 423.54 g/mol, XLogP of 0.11, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-[4-[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 55429014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).