2-[4-(thiadiazol-4-ylmethyl)piperazin-1-yl]ethanol

C9H16N4OS — CID 115753000

IUPAC2-[4-(thiadiazol-4-ylmethyl)piperazin-1-yl]ethanol
SMILESOCCN1CCN(Cc2csnn2)CC1
InChIInChI=1S/C9H16N4OS/c14-6-5-12-1-3-13(4-2-12)7-9-8-15-11-10-9/h8,14H,1-7H2
InChIKeyFTOMMOWYTUTJOT-UHFFFAOYSA-N
MW228.32 g/mol
LogP-0.35
Rot. Bonds4

About 2-[4-(thiadiazol-4-ylmethyl)piperazin-1-yl]ethanol

2-[4-(thiadiazol-4-ylmethyl)piperazin-1-yl]ethanol (PubChem CID 115753000) has the molecular formula C9H16N4OS and a molecular weight of 228.32 g/mol. Its IUPAC name is 2-[4-(thiadiazol-4-ylmethyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(thiadiazol-4-ylmethyl)piperazin-1-yl]ethanol
PubChem CID115753000
Molecular FormulaC9H16N4OS
Molecular Weight228.32 g/mol
Exact Mass228.10
IUPAC Name2-[4-(thiadiazol-4-ylmethyl)piperazin-1-yl]ethanol
SMILESOCCN1CCN(Cc2csnn2)CC1
InChIInChI=1S/C9H16N4OS/c14-6-5-12-1-3-13(4-2-12)7-9-8-15-11-10-9/h8,14H,1-7H2
InChIKeyFTOMMOWYTUTJOT-UHFFFAOYSA-N
XLogP-0.35
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(thiadiazol-4-ylmethyl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(thiadiazol-4-ylmethyl)piperazin-1-yl]ethanol (CID 115753000) is 2-[4-(thiadiazol-4-ylmethyl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(thiadiazol-4-ylmethyl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(thiadiazol-4-ylmethyl)piperazin-1-yl]ethanol is OCCN1CCN(Cc2csnn2)CC1.
What is the InChIKey of 2-[4-(thiadiazol-4-ylmethyl)piperazin-1-yl]ethanol?
The InChIKey is FTOMMOWYTUTJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4OS/c14-6-5-12-1-3-13(4-2-12)7-9-8-15-11-10-9/h8,14H,1-7H2.
What are the key properties of 2-[4-(thiadiazol-4-ylmethyl)piperazin-1-yl]ethanol?
2-[4-(thiadiazol-4-ylmethyl)piperazin-1-yl]ethanol has a molecular weight of 228.32 g/mol, XLogP of -0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(thiadiazol-4-ylmethyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 115753000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).