N-[4-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide;dihydrochloride

C17H25Cl2N5O2S2 — CID 119394325

IUPACN-[4-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Cc1csc(NC(=O)c2cccs2)n1)NCCCN1CCNCC1
InChIInChI=1S/C17H23N5O2S2.2ClH/c23-15(19-4-2-7-22-8-5-18-6-9-22)11-13-12-26-17(20-13)21-16(24)14-3-1-10-25-14;;/h1,3,10,12,18H,2,4-9,11H2,(H,19,23)(H,20,21,24);2*1H
InChIKeyBIPWRXGUIADDAO-UHFFFAOYSA-N
MW466.46 g/mol
LogP2.25
Rot. Bonds8

About N-[4-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide;dihydrochloride

N-[4-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide;dihydrochloride (PubChem CID 119394325) has the molecular formula C17H25Cl2N5O2S2 and a molecular weight of 466.46 g/mol. Its IUPAC name is N-[4-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[4-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide;dihydrochloride
PubChem CID119394325
Molecular FormulaC17H25Cl2N5O2S2
Molecular Weight466.46 g/mol
Exact Mass465.08
IUPAC NameN-[4-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Cc1csc(NC(=O)c2cccs2)n1)NCCCN1CCNCC1
InChIInChI=1S/C17H23N5O2S2.2ClH/c23-15(19-4-2-7-22-8-5-18-6-9-22)11-13-12-26-17(20-13)21-16(24)14-3-1-10-25-14;;/h1,3,10,12,18H,2,4-9,11H2,(H,19,23)(H,20,21,24);2*1H
InChIKeyBIPWRXGUIADDAO-UHFFFAOYSA-N
XLogP2.25
TPSA86.36 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.46
LogP ≤ 52.25
H-Bond Donors ≤ 53
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)thiophene-2-carboxamide;hydrochloride
CID 119391130
N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]thiophene-2-carboxamide;hydrochloride
CID 119393805
N-(3-piperazin-1-ylpropyl)-2-thiophen-2-ylacetamide;hydrochloride
CID 119393187
2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(3-piperazin-1-ylpropyl)acetamide;dihydrochloride
CID 119394536
N-[4-[2-oxo-2-[2-(6-oxopyridazin-1-yl)ethylamino]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 45497679
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
N-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 16820241
N-[3-(3-piperazin-1-ylpropylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 119393887
N-[4-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 41229017
N-[4-(2-anilino-2-oxoethyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 17414617
2-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]-N-(3-piperazin-1-ylpropyl)acetamide;dihydrochloride
CID 119394025

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide;dihydrochloride?
The IUPAC name of N-[4-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide;dihydrochloride (CID 119394325) is N-[4-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-[4-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide;dihydrochloride?
The canonical SMILES for N-[4-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide;dihydrochloride is Cl.Cl.O=C(Cc1csc(NC(=O)c2cccs2)n1)NCCCN1CCNCC1.
What is the InChIKey of N-[4-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide;dihydrochloride?
The InChIKey is BIPWRXGUIADDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2S2.2ClH/c23-15(19-4-2-7-22-8-5-18-6-9-22)11-13-12-26-17(20-13)21-16(24)14-3-1-10-25-14;;/h1,3,10,12,18H,2,4-9,11H2,(H,19,23)(H,20,21,24);2*1H.
What are the key properties of N-[4-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide;dihydrochloride?
N-[4-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide;dihydrochloride has a molecular weight of 466.46 g/mol, XLogP of 2.25, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119394325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).