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

C15H22Cl2N6OS — CID 119392029

IUPACN-(3-piperazin-1-ylpropyl)-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCCCN1CCNCC1)c1csc(-c2cnccn2)n1
InChIInChI=1S/C15H20N6OS.2ClH/c22-14(19-2-1-7-21-8-5-16-6-9-21)13-11-23-15(20-13)12-10-17-3-4-18-12;;/h3-4,10-11,16H,1-2,5-9H2,(H,19,22);2*1H
InChIKeyBSMXWIRSKGXTCI-UHFFFAOYSA-N
MW405.36 g/mol
LogP1.47
Rot. Bonds6

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

N-(3-piperazin-1-ylpropyl)-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride (PubChem CID 119392029) has the molecular formula C15H22Cl2N6OS and a molecular weight of 405.36 g/mol. Its IUPAC name is N-(3-piperazin-1-ylpropyl)-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(3-piperazin-1-ylpropyl)-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
PubChem CID119392029
Molecular FormulaC15H22Cl2N6OS
Molecular Weight405.36 g/mol
Exact Mass404.10
IUPAC NameN-(3-piperazin-1-ylpropyl)-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCCCN1CCNCC1)c1csc(-c2cnccn2)n1
InChIInChI=1S/C15H20N6OS.2ClH/c22-14(19-2-1-7-21-8-5-16-6-9-21)13-11-23-15(20-13)12-10-17-3-4-18-12;;/h3-4,10-11,16H,1-2,5-9H2,(H,19,22);2*1H
InChIKeyBSMXWIRSKGXTCI-UHFFFAOYSA-N
XLogP1.47
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.36
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(3-piperazin-1-ylpropyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119393049
2-(furan-3-yl)-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119394566
2-(4-chlorophenyl)-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide
CID 119393747
2-(2-chlorophenyl)-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide
CID 119392076
2-(4-nitrophenyl)-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119393005
N-(3-piperazin-1-ylpropyl)thiadiazole-4-carboxamide
CID 65216494
N-(2-piperazin-1-ylethyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide
CID 119448939
N-[2-(2-hydroxyethyl)pentyl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide
CID 111697417
N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide
CID 95293820
N-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide
CID 95293819
N-(2-hydroxy-2,5-dimethylhexyl)-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide
CID 111485207
N-(2-piperazin-1-ylethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-(3-piperazin-1-ylpropyl)-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride?
The IUPAC name of N-(3-piperazin-1-ylpropyl)-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride (CID 119392029) is N-(3-piperazin-1-ylpropyl)-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-(3-piperazin-1-ylpropyl)-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride?
The canonical SMILES for N-(3-piperazin-1-ylpropyl)-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride is Cl.Cl.O=C(NCCCN1CCNCC1)c1csc(-c2cnccn2)n1.
What is the InChIKey of N-(3-piperazin-1-ylpropyl)-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride?
The InChIKey is BSMXWIRSKGXTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6OS.2ClH/c22-14(19-2-1-7-21-8-5-16-6-9-21)13-11-23-15(20-13)12-10-17-3-4-18-12;;/h3-4,10-11,16H,1-2,5-9H2,(H,19,22);2*1H.
What are the key properties of N-(3-piperazin-1-ylpropyl)-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride?
N-(3-piperazin-1-ylpropyl)-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride has a molecular weight of 405.36 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-piperazin-1-ylpropyl)-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119392029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).