(2-aminophenyl)-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone;dihydrochloride

C15H21Cl2N5OS — CID 119947337

IUPAC(2-aminophenyl)-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone;dihydrochloride
SMILESCCc1nsc(N2CCN(C(=O)c3ccccc3N)CC2)n1.Cl.Cl
InChIInChI=1S/C15H19N5OS.2ClH/c1-2-13-17-15(22-18-13)20-9-7-19(8-10-20)14(21)11-5-3-4-6-12(11)16;;/h3-6H,2,7-10,16H2,1H3;2*1H
InChIKeyOQEQJZIJPDDJQF-UHFFFAOYSA-N
MW390.34 g/mol
LogP2.49
Rot. Bonds3

About (2-aminophenyl)-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone;dihydrochloride

(2-aminophenyl)-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone;dihydrochloride (PubChem CID 119947337) has the molecular formula C15H21Cl2N5OS and a molecular weight of 390.34 g/mol. Its IUPAC name is (2-aminophenyl)-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name(2-aminophenyl)-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone;dihydrochloride
PubChem CID119947337
Molecular FormulaC15H21Cl2N5OS
Molecular Weight390.34 g/mol
Exact Mass389.08
IUPAC Name(2-aminophenyl)-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone;dihydrochloride
SMILESCCc1nsc(N2CCN(C(=O)c3ccccc3N)CC2)n1.Cl.Cl
InChIInChI=1S/C15H19N5OS.2ClH/c1-2-13-17-15(22-18-13)20-9-7-19(8-10-20)14(21)11-5-3-4-6-12(11)16;;/h3-6H,2,7-10,16H2,1H3;2*1H
InChIKeyOQEQJZIJPDDJQF-UHFFFAOYSA-N
XLogP2.49
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.34
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 133328573
[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-(2-iodophenyl)methanone
CID 133333033
1-benzofuran-3-yl-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
CID 136528844
(4-bromophenyl)-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
CID 133332965
1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-phenylethanone
CID 133332976
[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 133333010
[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-(3-methyl-1-benzothiophen-2-yl)methanone
CID 133332975
3-amino-1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-one
CID 119893652
(2-hydroxyphenyl)-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
CID 71980627
[4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 3281463
[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 71989309
(3-chlorophenyl)-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]methanone
CID 133328581

Frequently Asked Questions

What is the IUPAC name of (2-aminophenyl)-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone;dihydrochloride?
The IUPAC name of (2-aminophenyl)-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone;dihydrochloride (CID 119947337) is (2-aminophenyl)-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone;dihydrochloride.
What is the SMILES notation for (2-aminophenyl)-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone;dihydrochloride?
The canonical SMILES for (2-aminophenyl)-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone;dihydrochloride is CCc1nsc(N2CCN(C(=O)c3ccccc3N)CC2)n1.Cl.Cl.
What is the InChIKey of (2-aminophenyl)-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone;dihydrochloride?
The InChIKey is OQEQJZIJPDDJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5OS.2ClH/c1-2-13-17-15(22-18-13)20-9-7-19(8-10-20)14(21)11-5-3-4-6-12(11)16;;/h3-6H,2,7-10,16H2,1H3;2*1H.
What are the key properties of (2-aminophenyl)-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone;dihydrochloride?
(2-aminophenyl)-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone;dihydrochloride has a molecular weight of 390.34 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminophenyl)-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone;dihydrochloride is sourced from PubChem (CID 119947337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).