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

C10H19N5OS — CID 80606987

IUPAC2-[4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]piperazin-1-yl]ethanol
SMILESCNc1nnc(CN2CCN(CCO)CC2)s1
InChIInChI=1S/C10H19N5OS/c1-11-10-13-12-9(17-10)8-15-4-2-14(3-5-15)6-7-16/h16H,2-8H2,1H3,(H,11,13)
InChIKeyYELYHEWGWQYXPY-UHFFFAOYSA-N
MW257.36 g/mol
LogP-0.31
Rot. Bonds5

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

2-[4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]piperazin-1-yl]ethanol (PubChem CID 80606987) has the molecular formula C10H19N5OS and a molecular weight of 257.36 g/mol. Its IUPAC name is 2-[4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]piperazin-1-yl]ethanol
PubChem CID80606987
Molecular FormulaC10H19N5OS
Molecular Weight257.36 g/mol
Exact Mass257.13
IUPAC Name2-[4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]piperazin-1-yl]ethanol
SMILESCNc1nnc(CN2CCN(CCO)CC2)s1
InChIInChI=1S/C10H19N5OS/c1-11-10-13-12-9(17-10)8-15-4-2-14(3-5-15)6-7-16/h16H,2-8H2,1H3,(H,11,13)
InChIKeyYELYHEWGWQYXPY-UHFFFAOYSA-N
XLogP-0.31
TPSA64.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]piperazin-1-yl]ethanol (CID 80606987) is 2-[4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]piperazin-1-yl]ethanol is CNc1nnc(CN2CCN(CCO)CC2)s1.
What is the InChIKey of 2-[4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]piperazin-1-yl]ethanol?
The InChIKey is YELYHEWGWQYXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5OS/c1-11-10-13-12-9(17-10)8-15-4-2-14(3-5-15)6-7-16/h16H,2-8H2,1H3,(H,11,13).
What are the key properties of 2-[4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]piperazin-1-yl]ethanol?
2-[4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]piperazin-1-yl]ethanol has a molecular weight of 257.36 g/mol, XLogP of -0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 80606987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).