(4-ethylpiperazin-1-yl)-(thiadiazol-4-yl)methanone

C9H14N4OS — CID 166703623

IUPAC(4-ethylpiperazin-1-yl)-(thiadiazol-4-yl)methanone
SMILESCCN1CCN(C(=O)c2csnn2)CC1
InChIInChI=1S/C9H14N4OS/c1-2-12-3-5-13(6-4-12)9(14)8-7-15-11-10-8/h7H,2-6H2,1H3
InChIKeyBOXQXTUQKLCTFF-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.32
Rot. Bonds2

About (4-ethylpiperazin-1-yl)-(thiadiazol-4-yl)methanone

(4-ethylpiperazin-1-yl)-(thiadiazol-4-yl)methanone (PubChem CID 166703623) has the molecular formula C9H14N4OS and a molecular weight of 226.30 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-(thiadiazol-4-yl)methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-(thiadiazol-4-yl)methanone
PubChem CID166703623
Molecular FormulaC9H14N4OS
Molecular Weight226.30 g/mol
Exact Mass226.09
IUPAC Name(4-ethylpiperazin-1-yl)-(thiadiazol-4-yl)methanone
SMILESCCN1CCN(C(=O)c2csnn2)CC1
InChIInChI=1S/C9H14N4OS/c1-2-12-3-5-13(6-4-12)9(14)8-7-15-11-10-8/h7H,2-6H2,1H3
InChIKeyBOXQXTUQKLCTFF-UHFFFAOYSA-N
XLogP0.32
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-(thiadiazol-4-yl)methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-(thiadiazol-4-yl)methanone (CID 166703623) is (4-ethylpiperazin-1-yl)-(thiadiazol-4-yl)methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-(thiadiazol-4-yl)methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-(thiadiazol-4-yl)methanone is CCN1CCN(C(=O)c2csnn2)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-(thiadiazol-4-yl)methanone?
The InChIKey is BOXQXTUQKLCTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4OS/c1-2-12-3-5-13(6-4-12)9(14)8-7-15-11-10-8/h7H,2-6H2,1H3.
What are the key properties of (4-ethylpiperazin-1-yl)-(thiadiazol-4-yl)methanone?
(4-ethylpiperazin-1-yl)-(thiadiazol-4-yl)methanone has a molecular weight of 226.30 g/mol, XLogP of 0.32, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-(thiadiazol-4-yl)methanone is sourced from PubChem (CID 166703623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).