2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2,6-dimethylpiperazin-1-yl]acetonitrile

C12H19N5S — CID 126829220

IUPAC2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2,6-dimethylpiperazin-1-yl]acetonitrile
SMILESCCc1nsc(N2CC(C)N(CC#N)C(C)C2)n1
InChIInChI=1S/C12H19N5S/c1-4-11-14-12(18-15-11)16-7-9(2)17(6-5-13)10(3)8-16/h9-10H,4,6-8H2,1-3H3
InChIKeyKSMJGQZCBRFYAP-UHFFFAOYSA-N
MW265.39 g/mol
LogP1.52
Rot. Bonds3

About 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2,6-dimethylpiperazin-1-yl]acetonitrile

2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2,6-dimethylpiperazin-1-yl]acetonitrile (PubChem CID 126829220) has the molecular formula C12H19N5S and a molecular weight of 265.39 g/mol. Its IUPAC name is 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2,6-dimethylpiperazin-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2,6-dimethylpiperazin-1-yl]acetonitrile
PubChem CID126829220
Molecular FormulaC12H19N5S
Molecular Weight265.39 g/mol
Exact Mass265.14
IUPAC Name2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2,6-dimethylpiperazin-1-yl]acetonitrile
SMILESCCc1nsc(N2CC(C)N(CC#N)C(C)C2)n1
InChIInChI=1S/C12H19N5S/c1-4-11-14-12(18-15-11)16-7-9(2)17(6-5-13)10(3)8-16/h9-10H,4,6-8H2,1-3H3
InChIKeyKSMJGQZCBRFYAP-UHFFFAOYSA-N
XLogP1.52
TPSA56.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.39
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2,6-dimethylpiperazin-1-yl]acetonitrile?
The IUPAC name of 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2,6-dimethylpiperazin-1-yl]acetonitrile (CID 126829220) is 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2,6-dimethylpiperazin-1-yl]acetonitrile.
What is the SMILES notation for 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2,6-dimethylpiperazin-1-yl]acetonitrile?
The canonical SMILES for 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2,6-dimethylpiperazin-1-yl]acetonitrile is CCc1nsc(N2CC(C)N(CC#N)C(C)C2)n1.
What is the InChIKey of 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2,6-dimethylpiperazin-1-yl]acetonitrile?
The InChIKey is KSMJGQZCBRFYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5S/c1-4-11-14-12(18-15-11)16-7-9(2)17(6-5-13)10(3)8-16/h9-10H,4,6-8H2,1-3H3.
What are the key properties of 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2,6-dimethylpiperazin-1-yl]acetonitrile?
2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2,6-dimethylpiperazin-1-yl]acetonitrile has a molecular weight of 265.39 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2,6-dimethylpiperazin-1-yl]acetonitrile is sourced from PubChem (CID 126829220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).