[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone

C10H16N4O2S — CID 915404

IUPAC[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)N1CCN(CCO)CC1
InChIInChI=1S/C10H16N4O2S/c1-8-9(17-12-11-8)10(16)14-4-2-13(3-5-14)6-7-15/h15H,2-7H2,1H3
InChIKeyYBXIIZOUNXLPGC-UHFFFAOYSA-N
MW256.33 g/mol
LogP-0.40
Rot. Bonds3

About [4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone

[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone (PubChem CID 915404) has the molecular formula C10H16N4O2S and a molecular weight of 256.33 g/mol. Its IUPAC name is [4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone
PubChem CID915404
Molecular FormulaC10H16N4O2S
Molecular Weight256.33 g/mol
Exact Mass256.10
IUPAC Name[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)N1CCN(CCO)CC1
InChIInChI=1S/C10H16N4O2S/c1-8-9(17-12-11-8)10(16)14-4-2-13(3-5-14)6-7-15/h15H,2-7H2,1H3
InChIKeyYBXIIZOUNXLPGC-UHFFFAOYSA-N
XLogP-0.40
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 5-0.40
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]-(4-methylthiadiazol-5-yl)methanone?
The IUPAC name of [4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone (CID 915404) is [4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone.
What is the SMILES notation for [4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The canonical SMILES for [4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone is Cc1nnsc1C(=O)N1CCN(CCO)CC1.
What is the InChIKey of [4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The InChIKey is YBXIIZOUNXLPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S/c1-8-9(17-12-11-8)10(16)14-4-2-13(3-5-14)6-7-15/h15H,2-7H2,1H3.
What are the key properties of [4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone has a molecular weight of 256.33 g/mol, XLogP of -0.40, 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]-(4-methylthiadiazol-5-yl)methanone is sourced from PubChem (CID 915404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).