[4-(2-hydroxyethyl)piperazin-1-yl]-(thiadiazol-4-yl)methanone

C9H14N4O2S — CID 61067356

IUPAC[4-(2-hydroxyethyl)piperazin-1-yl]-(thiadiazol-4-yl)methanone
SMILESO=C(c1csnn1)N1CCN(CCO)CC1
InChIInChI=1S/C9H14N4O2S/c14-6-5-12-1-3-13(4-2-12)9(15)8-7-16-11-10-8/h7,14H,1-6H2
InChIKeyGRRAZIXBFGCBLJ-UHFFFAOYSA-N
MW242.30 g/mol
LogP-0.71
Rot. Bonds3

About [4-(2-hydroxyethyl)piperazin-1-yl]-(thiadiazol-4-yl)methanone

[4-(2-hydroxyethyl)piperazin-1-yl]-(thiadiazol-4-yl)methanone (PubChem CID 61067356) has the molecular formula C9H14N4O2S and a molecular weight of 242.30 g/mol. Its IUPAC name is [4-(2-hydroxyethyl)piperazin-1-yl]-(thiadiazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(2-hydroxyethyl)piperazin-1-yl]-(thiadiazol-4-yl)methanone
PubChem CID61067356
Molecular FormulaC9H14N4O2S
Molecular Weight242.30 g/mol
Exact Mass242.08
IUPAC Name[4-(2-hydroxyethyl)piperazin-1-yl]-(thiadiazol-4-yl)methanone
SMILESO=C(c1csnn1)N1CCN(CCO)CC1
InChIInChI=1S/C9H14N4O2S/c14-6-5-12-1-3-13(4-2-12)9(15)8-7-16-11-10-8/h7,14H,1-6H2
InChIKeyGRRAZIXBFGCBLJ-UHFFFAOYSA-N
XLogP-0.71
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxyethyl)piperazin-1-yl]-(thiadiazol-4-yl)methanone?
The IUPAC name of [4-(2-hydroxyethyl)piperazin-1-yl]-(thiadiazol-4-yl)methanone (CID 61067356) is [4-(2-hydroxyethyl)piperazin-1-yl]-(thiadiazol-4-yl)methanone.
What is the SMILES notation for [4-(2-hydroxyethyl)piperazin-1-yl]-(thiadiazol-4-yl)methanone?
The canonical SMILES for [4-(2-hydroxyethyl)piperazin-1-yl]-(thiadiazol-4-yl)methanone is O=C(c1csnn1)N1CCN(CCO)CC1.
What is the InChIKey of [4-(2-hydroxyethyl)piperazin-1-yl]-(thiadiazol-4-yl)methanone?
The InChIKey is GRRAZIXBFGCBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2S/c14-6-5-12-1-3-13(4-2-12)9(15)8-7-16-11-10-8/h7,14H,1-6H2.
What are the key properties of [4-(2-hydroxyethyl)piperazin-1-yl]-(thiadiazol-4-yl)methanone?
[4-(2-hydroxyethyl)piperazin-1-yl]-(thiadiazol-4-yl)methanone has a molecular weight of 242.30 g/mol, XLogP of -0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxyethyl)piperazin-1-yl]-(thiadiazol-4-yl)methanone is sourced from PubChem (CID 61067356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).