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

C14H26Cl2N4OS — CID 119393049

IUPACN-(3-piperazin-1-ylpropyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCC(C)c1nc(C(=O)NCCCN2CCNCC2)cs1.Cl.Cl
InChIInChI=1S/C14H24N4OS.2ClH/c1-11(2)14-17-12(10-20-14)13(19)16-4-3-7-18-8-5-15-6-9-18;;/h10-11,15H,3-9H2,1-2H3,(H,16,19);2*1H
InChIKeyYOSYQGNDAXKSDO-UHFFFAOYSA-N
MW369.36 g/mol
LogP2.14
Rot. Bonds6

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

N-(3-piperazin-1-ylpropyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride (PubChem CID 119393049) has the molecular formula C14H26Cl2N4OS and a molecular weight of 369.36 g/mol. Its IUPAC name is N-(3-piperazin-1-ylpropyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(3-piperazin-1-ylpropyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
PubChem CID119393049
Molecular FormulaC14H26Cl2N4OS
Molecular Weight369.36 g/mol
Exact Mass368.12
IUPAC NameN-(3-piperazin-1-ylpropyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCC(C)c1nc(C(=O)NCCCN2CCNCC2)cs1.Cl.Cl
InChIInChI=1S/C14H24N4OS.2ClH/c1-11(2)14-17-12(10-20-14)13(19)16-4-3-7-18-8-5-15-6-9-18;;/h10-11,15H,3-9H2,1-2H3,(H,16,19);2*1H
InChIKeyYOSYQGNDAXKSDO-UHFFFAOYSA-N
XLogP2.14
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.36
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-pyrazin-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119392029
N-(3-aminopropyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119407394
2-(furan-3-yl)-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119394566
N-pentyl-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 110694251
2-(4-chlorophenyl)-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide
CID 119393747
N-(2-piperazin-1-ylethyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide
CID 119448939
2-(2-chlorophenyl)-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide
CID 119392076
N-(3-piperazin-1-ylpropyl)thiadiazole-4-carboxamide
CID 65216494
2-(4-nitrophenyl)-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119393005
2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(3-piperazin-1-ylpropyl)acetamide;dihydrochloride
CID 119394536
1-(3-methylbutyl)-N-(3-piperazin-1-ylpropyl)triazole-4-carboxamide;hydrochloride
CID 119391025
5-tert-butyl-N-(3-piperazin-1-ylpropyl)-1H-pyrazole-3-carboxamide
CID 119393895

Frequently Asked Questions

What is the IUPAC name of N-(3-piperazin-1-ylpropyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride?
The IUPAC name of N-(3-piperazin-1-ylpropyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride (CID 119393049) is N-(3-piperazin-1-ylpropyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-(3-piperazin-1-ylpropyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride?
The canonical SMILES for N-(3-piperazin-1-ylpropyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride is CC(C)c1nc(C(=O)NCCCN2CCNCC2)cs1.Cl.Cl.
What is the InChIKey of N-(3-piperazin-1-ylpropyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride?
The InChIKey is YOSYQGNDAXKSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OS.2ClH/c1-11(2)14-17-12(10-20-14)13(19)16-4-3-7-18-8-5-15-6-9-18;;/h10-11,15H,3-9H2,1-2H3,(H,16,19);2*1H.
What are the key properties of N-(3-piperazin-1-ylpropyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride?
N-(3-piperazin-1-ylpropyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride has a molecular weight of 369.36 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-piperazin-1-ylpropyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119393049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).