N-(3-methoxypropyl)-2-[4-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperazin-1-yl]acetamide

C22H31N5O3S — CID 24561151

IUPACN-(3-methoxypropyl)-2-[4-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperazin-1-yl]acetamide
SMILESCOCCCNC(=O)CN1CCN(CC(=O)Nc2nc(-c3ccc(C)cc3)cs2)CC1
InChIInChI=1S/C22H31N5O3S/c1-17-4-6-18(7-5-17)19-16-31-22(24-19)25-21(29)15-27-11-9-26(10-12-27)14-20(28)23-8-3-13-30-2/h4-7,16H,3,8-15H2,1-2H3,(H,23,28)(H,24,25,29)
InChIKeySDWKYQDXHVCCGU-UHFFFAOYSA-N
MW445.59 g/mol
LogP1.83
Rot. Bonds10

About N-(3-methoxypropyl)-2-[4-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperazin-1-yl]acetamide

N-(3-methoxypropyl)-2-[4-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperazin-1-yl]acetamide (PubChem CID 24561151) has the molecular formula C22H31N5O3S and a molecular weight of 445.59 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-[4-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-[4-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperazin-1-yl]acetamide
PubChem CID24561151
Molecular FormulaC22H31N5O3S
Molecular Weight445.59 g/mol
Exact Mass445.21
IUPAC NameN-(3-methoxypropyl)-2-[4-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperazin-1-yl]acetamide
SMILESCOCCCNC(=O)CN1CCN(CC(=O)Nc2nc(-c3ccc(C)cc3)cs2)CC1
InChIInChI=1S/C22H31N5O3S/c1-17-4-6-18(7-5-17)19-16-31-22(24-19)25-21(29)15-27-11-9-26(10-12-27)14-20(28)23-8-3-13-30-2/h4-7,16H,3,8-15H2,1-2H3,(H,23,28)(H,24,25,29)
InChIKeySDWKYQDXHVCCGU-UHFFFAOYSA-N
XLogP1.83
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.59
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-(3-methoxypropyl)-2-[4-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]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

ethyl 4-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperazine-1-carboxylate
CID 17121909
1-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-pentylpiperidine-4-carboxamide
CID 55852922
2-[4-(3-methylphenyl)piperazin-1-yl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 34737670
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 55470537
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 22200140
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide
CID 22197615
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 22197140
2-(2,6-dimethylmorpholin-4-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 6465578
tert-butyl N-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]carbamate
CID 139371491
N-(3-methoxypropyl)-2-[4-[2-(3-methylanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]acetamide
CID 42876951
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)acetamide
CID 119677844
2-(cyclopropylmethylamino)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 119676910

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-[4-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(3-methoxypropyl)-2-[4-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperazin-1-yl]acetamide (CID 24561151) is N-(3-methoxypropyl)-2-[4-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-[4-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-[4-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperazin-1-yl]acetamide is COCCCNC(=O)CN1CCN(CC(=O)Nc2nc(-c3ccc(C)cc3)cs2)CC1.
What is the InChIKey of N-(3-methoxypropyl)-2-[4-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperazin-1-yl]acetamide?
The InChIKey is SDWKYQDXHVCCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O3S/c1-17-4-6-18(7-5-17)19-16-31-22(24-19)25-21(29)15-27-11-9-26(10-12-27)14-20(28)23-8-3-13-30-2/h4-7,16H,3,8-15H2,1-2H3,(H,23,28)(H,24,25,29).
What are the key properties of N-(3-methoxypropyl)-2-[4-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperazin-1-yl]acetamide?
N-(3-methoxypropyl)-2-[4-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperazin-1-yl]acetamide has a molecular weight of 445.59 g/mol, XLogP of 1.83, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-[4-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 24561151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).