2-propyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide;dihydrochloride

C14H23Cl2F3N4OS — CID 120810578

IUPAC2-propyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide;dihydrochloride
SMILESCCCc1ncc(C(=O)NCC(N2CCNCC2)C(F)(F)F)s1.Cl.Cl
InChIInChI=1S/C14H21F3N4OS.2ClH/c1-2-3-12-19-8-10(23-12)13(22)20-9-11(14(15,16)17)21-6-4-18-5-7-21;;/h8,11,18H,2-7,9H2,1H3,(H,20,22);2*1H
InChIKeyUWJLIRAXACHLDL-UHFFFAOYSA-N
MW423.33 g/mol
LogP2.51
Rot. Bonds6

About 2-propyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide;dihydrochloride

2-propyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide;dihydrochloride (PubChem CID 120810578) has the molecular formula C14H23Cl2F3N4OS and a molecular weight of 423.33 g/mol. Its IUPAC name is 2-propyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-propyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide;dihydrochloride
PubChem CID120810578
Molecular FormulaC14H23Cl2F3N4OS
Molecular Weight423.33 g/mol
Exact Mass422.09
IUPAC Name2-propyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide;dihydrochloride
SMILESCCCc1ncc(C(=O)NCC(N2CCNCC2)C(F)(F)F)s1.Cl.Cl
InChIInChI=1S/C14H21F3N4OS.2ClH/c1-2-3-12-19-8-10(23-12)13(22)20-9-11(14(15,16)17)21-6-4-18-5-7-21;;/h8,11,18H,2-7,9H2,1H3,(H,20,22);2*1H
InChIKeyUWJLIRAXACHLDL-UHFFFAOYSA-N
XLogP2.51
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.33
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide;dihydrochloride?
The IUPAC name of 2-propyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide;dihydrochloride (CID 120810578) is 2-propyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide;dihydrochloride.
What is the SMILES notation for 2-propyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide;dihydrochloride?
The canonical SMILES for 2-propyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide;dihydrochloride is CCCc1ncc(C(=O)NCC(N2CCNCC2)C(F)(F)F)s1.Cl.Cl.
What is the InChIKey of 2-propyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide;dihydrochloride?
The InChIKey is UWJLIRAXACHLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N4OS.2ClH/c1-2-3-12-19-8-10(23-12)13(22)20-9-11(14(15,16)17)21-6-4-18-5-7-21;;/h8,11,18H,2-7,9H2,1H3,(H,20,22);2*1H.
What are the key properties of 2-propyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide;dihydrochloride?
2-propyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide;dihydrochloride has a molecular weight of 423.33 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide;dihydrochloride is sourced from PubChem (CID 120810578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).