2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(3-piperazin-1-ylpropyl)acetamide;dihydrochloride

C16H30Cl2N4OS — CID 119394536

IUPAC2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(3-piperazin-1-ylpropyl)acetamide;dihydrochloride
SMILESCC(C)(C)c1nc(CC(=O)NCCCN2CCNCC2)cs1.Cl.Cl
InChIInChI=1S/C16H28N4OS.2ClH/c1-16(2,3)15-19-13(12-22-15)11-14(21)18-5-4-8-20-9-6-17-7-10-20;;/h12,17H,4-11H2,1-3H3,(H,18,21);2*1H
InChIKeyHAVOQSUJHCNXHE-UHFFFAOYSA-N
MW397.42 g/mol
LogP2.24
Rot. Bonds6

About 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(3-piperazin-1-ylpropyl)acetamide;dihydrochloride

2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(3-piperazin-1-ylpropyl)acetamide;dihydrochloride (PubChem CID 119394536) has the molecular formula C16H30Cl2N4OS and a molecular weight of 397.42 g/mol. Its IUPAC name is 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(3-piperazin-1-ylpropyl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(3-piperazin-1-ylpropyl)acetamide;dihydrochloride
PubChem CID119394536
Molecular FormulaC16H30Cl2N4OS
Molecular Weight397.42 g/mol
Exact Mass396.15
IUPAC Name2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(3-piperazin-1-ylpropyl)acetamide;dihydrochloride
SMILESCC(C)(C)c1nc(CC(=O)NCCCN2CCNCC2)cs1.Cl.Cl
InChIInChI=1S/C16H28N4OS.2ClH/c1-16(2,3)15-19-13(12-22-15)11-14(21)18-5-4-8-20-9-6-17-7-10-20;;/h12,17H,4-11H2,1-3H3,(H,18,21);2*1H
InChIKeyHAVOQSUJHCNXHE-UHFFFAOYSA-N
XLogP2.24
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.42
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(2-tert-butyl-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-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-(3-piperazin-1-ylpropyl)acetamide;dihydrochloride
CID 119392951
2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]-N-(3-piperazin-1-ylpropyl)acetamide;dihydrochloride
CID 119392498
5-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]pentanoic acid
CID 119235347
N-[4-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide;dihydrochloride
CID 119394325
2-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]-N-(3-piperazin-1-ylpropyl)acetamide;dihydrochloride
CID 119394025
3-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 119177607
2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(2-piperidin-3-ylethyl)acetamide;dihydrochloride
CID 119559461
N-(3-piperazin-1-ylpropyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119393049
N-(3-aminobutyl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide;dihydrochloride
CID 119499665
3,3-dimethyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 119391133
2-(4-ethylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119393087
2-(4-methylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119164452

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(3-piperazin-1-ylpropyl)acetamide;dihydrochloride?
The IUPAC name of 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(3-piperazin-1-ylpropyl)acetamide;dihydrochloride (CID 119394536) is 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(3-piperazin-1-ylpropyl)acetamide;dihydrochloride.
What is the SMILES notation for 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(3-piperazin-1-ylpropyl)acetamide;dihydrochloride?
The canonical SMILES for 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(3-piperazin-1-ylpropyl)acetamide;dihydrochloride is CC(C)(C)c1nc(CC(=O)NCCCN2CCNCC2)cs1.Cl.Cl.
What is the InChIKey of 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(3-piperazin-1-ylpropyl)acetamide;dihydrochloride?
The InChIKey is HAVOQSUJHCNXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4OS.2ClH/c1-16(2,3)15-19-13(12-22-15)11-14(21)18-5-4-8-20-9-6-17-7-10-20;;/h12,17H,4-11H2,1-3H3,(H,18,21);2*1H.
What are the key properties of 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(3-piperazin-1-ylpropyl)acetamide;dihydrochloride?
2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(3-piperazin-1-ylpropyl)acetamide;dihydrochloride has a molecular weight of 397.42 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(3-piperazin-1-ylpropyl)acetamide;dihydrochloride is sourced from PubChem (CID 119394536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).