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

C10H18Cl2N4OS — CID 71308050

IUPACN-[5-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide;dihydrochloride
SMILESCC(=O)Nc1ncc(CN2CCNCC2)s1.Cl.Cl
InChIInChI=1S/C10H16N4OS.2ClH/c1-8(15)13-10-12-6-9(16-10)7-14-4-2-11-3-5-14;;/h6,11H,2-5,7H2,1H3,(H,12,13,15);2*1H
InChIKeyCKGQRKBDEPEASM-UHFFFAOYSA-N
MW313.25 g/mol
LogP1.35
Rot. Bonds3

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

N-[5-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide;dihydrochloride (PubChem CID 71308050) has the molecular formula C10H18Cl2N4OS and a molecular weight of 313.25 g/mol. Its IUPAC name is N-[5-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide;dihydrochloride.

Molecular Properties

Compound NameN-[5-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide;dihydrochloride
PubChem CID71308050
Molecular FormulaC10H18Cl2N4OS
Molecular Weight313.25 g/mol
Exact Mass312.06
IUPAC NameN-[5-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide;dihydrochloride
SMILESCC(=O)Nc1ncc(CN2CCNCC2)s1.Cl.Cl
InChIInChI=1S/C10H16N4OS.2ClH/c1-8(15)13-10-12-6-9(16-10)7-14-4-2-11-3-5-14;;/h6,11H,2-5,7H2,1H3,(H,12,13,15);2*1H
InChIKeyCKGQRKBDEPEASM-UHFFFAOYSA-N
XLogP1.35
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.25
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[5-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]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-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 163368401
N-[5-[[4-(1H-pyrazol-4-ylmethylidene)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 129251536
N-[5-[[(3S)-3-[(5-fluoro-1,2-dihydropyrimidin-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 174192843
1-[4-methyl-2-(2-methylpropoxy)phenyl]-3-[5-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]urea
CID 87230770
N-[2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-4-propan-2-ylphenyl]acetamide
CID 170668063
N-[5-[[4-[[4-(fluoromethyl)phenyl]methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 129251519
methyl N-[5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]carbamate
CID 1258070
2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(1H-benzimidazol-2-yl)acetamide
CID 163368413
N-[5-[[4-[2-(1,2,3,4-tetrahydroquinolin-7-yl)ethynyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 177377664
2-(methylsulfanylmethyl)-5-(piperazin-1-ylmethyl)-1,3-thiazole
CID 82191023
2-(2-methylpropyl)-5-(piperazin-1-ylmethyl)-1,3-thiazole
CID 82191059
1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-cyclohexylpiperidine-3-carboxamide
CID 163368407

Frequently Asked Questions

What is the IUPAC name of N-[5-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide;dihydrochloride?
The IUPAC name of N-[5-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide;dihydrochloride (CID 71308050) is N-[5-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide;dihydrochloride.
What is the SMILES notation for N-[5-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide;dihydrochloride?
The canonical SMILES for N-[5-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide;dihydrochloride is CC(=O)Nc1ncc(CN2CCNCC2)s1.Cl.Cl.
What is the InChIKey of N-[5-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide;dihydrochloride?
The InChIKey is CKGQRKBDEPEASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS.2ClH/c1-8(15)13-10-12-6-9(16-10)7-14-4-2-11-3-5-14;;/h6,11H,2-5,7H2,1H3,(H,12,13,15);2*1H.
What are the key properties of N-[5-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide;dihydrochloride?
N-[5-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide;dihydrochloride has a molecular weight of 313.25 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide;dihydrochloride is sourced from PubChem (CID 71308050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).