2-[4-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]piperazin-1-yl]ethanol

C9H17N5OS — CID 79021905

IUPAC2-[4-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]piperazin-1-yl]ethanol
SMILESNc1nnc(CN2CCN(CCO)CC2)s1
InChIInChI=1S/C9H17N5OS/c10-9-12-11-8(16-9)7-14-3-1-13(2-4-14)5-6-15/h15H,1-7H2,(H2,10,12)
InChIKeyGYPIRUUWMDGZGI-UHFFFAOYSA-N
MW243.34 g/mol
LogP-0.77
Rot. Bonds4

About 2-[4-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]piperazin-1-yl]ethanol

2-[4-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]piperazin-1-yl]ethanol (PubChem CID 79021905) has the molecular formula C9H17N5OS and a molecular weight of 243.34 g/mol. Its IUPAC name is 2-[4-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]piperazin-1-yl]ethanol
PubChem CID79021905
Molecular FormulaC9H17N5OS
Molecular Weight243.34 g/mol
Exact Mass243.12
IUPAC Name2-[4-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]piperazin-1-yl]ethanol
SMILESNc1nnc(CN2CCN(CCO)CC2)s1
InChIInChI=1S/C9H17N5OS/c10-9-12-11-8(16-9)7-14-3-1-13(2-4-14)5-6-15/h15H,1-7H2,(H2,10,12)
InChIKeyGYPIRUUWMDGZGI-UHFFFAOYSA-N
XLogP-0.77
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.34
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]piperazin-1-yl]ethanol (CID 79021905) is 2-[4-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]piperazin-1-yl]ethanol is Nc1nnc(CN2CCN(CCO)CC2)s1.
What is the InChIKey of 2-[4-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]piperazin-1-yl]ethanol?
The InChIKey is GYPIRUUWMDGZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5OS/c10-9-12-11-8(16-9)7-14-3-1-13(2-4-14)5-6-15/h15H,1-7H2,(H2,10,12).
What are the key properties of 2-[4-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]piperazin-1-yl]ethanol?
2-[4-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]piperazin-1-yl]ethanol has a molecular weight of 243.34 g/mol, XLogP of -0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 79021905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).