2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-(3-piperazin-1-ylpropyl)acetamide;dihydrochloride

C17H26Cl2N4O2S — CID 119392951

IUPAC2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-(3-piperazin-1-ylpropyl)acetamide;dihydrochloride
SMILESCc1ccc(-c2nc(CC(=O)NCCCN3CCNCC3)cs2)o1.Cl.Cl
InChIInChI=1S/C17H24N4O2S.2ClH/c1-13-3-4-15(23-13)17-20-14(12-24-17)11-16(22)19-5-2-8-21-9-6-18-7-10-21;;/h3-4,12,18H,2,5-11H2,1H3,(H,19,22);2*1H
InChIKeyRXCDVUFHEXKURS-UHFFFAOYSA-N
MW421.39 g/mol
LogP2.51
Rot. Bonds7

About 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-(3-piperazin-1-ylpropyl)acetamide;dihydrochloride

2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-(3-piperazin-1-ylpropyl)acetamide;dihydrochloride (PubChem CID 119392951) has the molecular formula C17H26Cl2N4O2S and a molecular weight of 421.39 g/mol. Its IUPAC name is 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-(3-piperazin-1-ylpropyl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-(3-piperazin-1-ylpropyl)acetamide;dihydrochloride
PubChem CID119392951
Molecular FormulaC17H26Cl2N4O2S
Molecular Weight421.39 g/mol
Exact Mass420.12
IUPAC Name2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-(3-piperazin-1-ylpropyl)acetamide;dihydrochloride
SMILESCc1ccc(-c2nc(CC(=O)NCCCN3CCNCC3)cs2)o1.Cl.Cl
InChIInChI=1S/C17H24N4O2S.2ClH/c1-13-3-4-15(23-13)17-20-14(12-24-17)11-16(22)19-5-2-8-21-9-6-18-7-10-21;;/h3-4,12,18H,2,5-11H2,1H3,(H,19,22);2*1H
InChIKeyRXCDVUFHEXKURS-UHFFFAOYSA-N
XLogP2.51
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.39
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-(3-piperazin-1-ylpropyl)acetamide;dihydrochloride 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

2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(3-piperazin-1-ylpropyl)acetamide;dihydrochloride
CID 119394536
2-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]-N-(3-piperazin-1-ylpropyl)acetamide;dihydrochloride
CID 119394025
2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]-N-(3-piperazin-1-ylpropyl)acetamide;dihydrochloride
CID 119392498
N-(2-amino-2-ethylbutyl)-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 119642126
2-(4-methylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119164452
N-[(2R)-2-(ethylamino)propyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 120652026
N-[4-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide;dihydrochloride
CID 119394325
N-[2-(methylamino)propyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 120831629
2,2-dimethyl-3-[[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid
CID 119250199
N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 46422815
2-(4-ethylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119393087
2-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]-N-(2-piperazin-1-ylethyl)acetamide
CID 119448635

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-(3-piperazin-1-ylpropyl)acetamide;dihydrochloride?
The IUPAC name of 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-(3-piperazin-1-ylpropyl)acetamide;dihydrochloride (CID 119392951) is 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-(3-piperazin-1-ylpropyl)acetamide;dihydrochloride.
What is the SMILES notation for 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-(3-piperazin-1-ylpropyl)acetamide;dihydrochloride?
The canonical SMILES for 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-(3-piperazin-1-ylpropyl)acetamide;dihydrochloride is Cc1ccc(-c2nc(CC(=O)NCCCN3CCNCC3)cs2)o1.Cl.Cl.
What is the InChIKey of 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-(3-piperazin-1-ylpropyl)acetamide;dihydrochloride?
The InChIKey is RXCDVUFHEXKURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S.2ClH/c1-13-3-4-15(23-13)17-20-14(12-24-17)11-16(22)19-5-2-8-21-9-6-18-7-10-21;;/h3-4,12,18H,2,5-11H2,1H3,(H,19,22);2*1H.
What are the key properties of 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-(3-piperazin-1-ylpropyl)acetamide;dihydrochloride?
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-(3-piperazin-1-ylpropyl)acetamide;dihydrochloride has a molecular weight of 421.39 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-(3-piperazin-1-ylpropyl)acetamide;dihydrochloride is sourced from PubChem (CID 119392951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).