2-(furan-3-yl)-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide;dihydrochloride

C15H22Cl2N4O2S — CID 119394566

IUPAC2-(furan-3-yl)-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCCCN1CCNCC1)c1csc(-c2ccoc2)n1
InChIInChI=1S/C15H20N4O2S.2ClH/c20-14(17-3-1-6-19-7-4-16-5-8-19)13-11-22-15(18-13)12-2-9-21-10-12;;/h2,9-11,16H,1,3-8H2,(H,17,20);2*1H
InChIKeyJRXJDCYYOFNYOD-UHFFFAOYSA-N
MW393.34 g/mol
LogP2.27
Rot. Bonds6

About 2-(furan-3-yl)-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide;dihydrochloride

2-(furan-3-yl)-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide;dihydrochloride (PubChem CID 119394566) has the molecular formula C15H22Cl2N4O2S and a molecular weight of 393.34 g/mol. Its IUPAC name is 2-(furan-3-yl)-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-(furan-3-yl)-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide;dihydrochloride
PubChem CID119394566
Molecular FormulaC15H22Cl2N4O2S
Molecular Weight393.34 g/mol
Exact Mass392.08
IUPAC Name2-(furan-3-yl)-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCCCN1CCNCC1)c1csc(-c2ccoc2)n1
InChIInChI=1S/C15H20N4O2S.2ClH/c20-14(17-3-1-6-19-7-4-16-5-8-19)13-11-22-15(18-13)12-2-9-21-10-12;;/h2,9-11,16H,1,3-8H2,(H,17,20);2*1H
InChIKeyJRXJDCYYOFNYOD-UHFFFAOYSA-N
XLogP2.27
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.34
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenyl)-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide
CID 119393747
2-(4-nitrophenyl)-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119393005
2-(2-chlorophenyl)-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide
CID 119392076
2-(furan-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120811820
N-(3-piperazin-1-ylpropyl)-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119392029
2-(furan-3-yl)-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119538180
N-(3-piperazin-1-ylpropyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119393049
2-(1,3-benzodioxol-5-yl)-N-(2-piperazin-1-ylethyl)-1,3-thiazole-4-carboxamide
CID 119446990
N-(2-piperazin-1-ylethyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide
CID 119448939
2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-[3-(4-hydroxypiperidin-1-yl)propyl]acetamide
CID 111435984
N-(2-piperazin-1-ylethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119448321
N-(2-piperazin-1-ylethyl)-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide
CID 119448074

Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-yl)-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide;dihydrochloride?
The IUPAC name of 2-(furan-3-yl)-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide;dihydrochloride (CID 119394566) is 2-(furan-3-yl)-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for 2-(furan-3-yl)-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide;dihydrochloride?
The canonical SMILES for 2-(furan-3-yl)-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide;dihydrochloride is Cl.Cl.O=C(NCCCN1CCNCC1)c1csc(-c2ccoc2)n1.
What is the InChIKey of 2-(furan-3-yl)-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide;dihydrochloride?
The InChIKey is JRXJDCYYOFNYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S.2ClH/c20-14(17-3-1-6-19-7-4-16-5-8-19)13-11-22-15(18-13)12-2-9-21-10-12;;/h2,9-11,16H,1,3-8H2,(H,17,20);2*1H.
What are the key properties of 2-(furan-3-yl)-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide;dihydrochloride?
2-(furan-3-yl)-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide;dihydrochloride has a molecular weight of 393.34 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-yl)-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119394566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).