[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-(3-methylpiperazin-1-yl)methanone;dihydrochloride

C14H19Cl2N3O2S — CID 119577581

IUPAC[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-(3-methylpiperazin-1-yl)methanone;dihydrochloride
SMILESCc1sc(-c2ccco2)nc1C(=O)N1CCNC(C)C1.Cl.Cl
InChIInChI=1S/C14H17N3O2S.2ClH/c1-9-8-17(6-5-15-9)14(18)12-10(2)20-13(16-12)11-4-3-7-19-11;;/h3-4,7,9,15H,5-6,8H2,1-2H3;2*1H
InChIKeyAGNWAWZZPLEXNB-UHFFFAOYSA-N
MW364.30 g/mol
LogP2.99
Rot. Bonds2

About [2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-(3-methylpiperazin-1-yl)methanone;dihydrochloride

[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-(3-methylpiperazin-1-yl)methanone;dihydrochloride (PubChem CID 119577581) has the molecular formula C14H19Cl2N3O2S and a molecular weight of 364.30 g/mol. Its IUPAC name is [2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-(3-methylpiperazin-1-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-(3-methylpiperazin-1-yl)methanone;dihydrochloride
PubChem CID119577581
Molecular FormulaC14H19Cl2N3O2S
Molecular Weight364.30 g/mol
Exact Mass363.06
IUPAC Name[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-(3-methylpiperazin-1-yl)methanone;dihydrochloride
SMILESCc1sc(-c2ccco2)nc1C(=O)N1CCNC(C)C1.Cl.Cl
InChIInChI=1S/C14H17N3O2S.2ClH/c1-9-8-17(6-5-15-9)14(18)12-10(2)20-13(16-12)11-4-3-7-19-11;;/h3-4,7,9,15H,5-6,8H2,1-2H3;2*1H
InChIKeyAGNWAWZZPLEXNB-UHFFFAOYSA-N
XLogP2.99
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.30
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-(3-methylpiperazin-1-yl)methanone;dihydrochloride?
The IUPAC name of [2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-(3-methylpiperazin-1-yl)methanone;dihydrochloride (CID 119577581) is [2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-(3-methylpiperazin-1-yl)methanone;dihydrochloride.
What is the SMILES notation for [2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-(3-methylpiperazin-1-yl)methanone;dihydrochloride?
The canonical SMILES for [2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-(3-methylpiperazin-1-yl)methanone;dihydrochloride is Cc1sc(-c2ccco2)nc1C(=O)N1CCNC(C)C1.Cl.Cl.
What is the InChIKey of [2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-(3-methylpiperazin-1-yl)methanone;dihydrochloride?
The InChIKey is AGNWAWZZPLEXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S.2ClH/c1-9-8-17(6-5-15-9)14(18)12-10(2)20-13(16-12)11-4-3-7-19-11;;/h3-4,7,9,15H,5-6,8H2,1-2H3;2*1H.
What are the key properties of [2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-(3-methylpiperazin-1-yl)methanone;dihydrochloride?
[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-(3-methylpiperazin-1-yl)methanone;dihydrochloride has a molecular weight of 364.30 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-(3-methylpiperazin-1-yl)methanone;dihydrochloride is sourced from PubChem (CID 119577581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).