2-[4-(5-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]ethanol

C11H17N5OS — CID 166703508

IUPAC2-[4-(5-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]ethanol
SMILESCc1cnc2sc(N3CCN(CCO)CC3)nn12
InChIInChI=1S/C11H17N5OS/c1-9-8-12-10-16(9)13-11(18-10)15-4-2-14(3-5-15)6-7-17/h8,17H,2-7H2,1H3
InChIKeyMHEVBNXNWPDTHK-UHFFFAOYSA-N
MW267.36 g/mol
LogP0.21
Rot. Bonds3

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

2-[4-(5-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]ethanol (PubChem CID 166703508) has the molecular formula C11H17N5OS and a molecular weight of 267.36 g/mol. Its IUPAC name is 2-[4-(5-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(5-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]ethanol
PubChem CID166703508
Molecular FormulaC11H17N5OS
Molecular Weight267.36 g/mol
Exact Mass267.12
IUPAC Name2-[4-(5-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]ethanol
SMILESCc1cnc2sc(N3CCN(CCO)CC3)nn12
InChIInChI=1S/C11H17N5OS/c1-9-8-12-10-16(9)13-11(18-10)15-4-2-14(3-5-15)6-7-17/h8,17H,2-7H2,1H3
InChIKeyMHEVBNXNWPDTHK-UHFFFAOYSA-N
XLogP0.21
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(5-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]ethanol (CID 166703508) is 2-[4-(5-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(5-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(5-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]ethanol is Cc1cnc2sc(N3CCN(CCO)CC3)nn12.
What is the InChIKey of 2-[4-(5-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]ethanol?
The InChIKey is MHEVBNXNWPDTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5OS/c1-9-8-12-10-16(9)13-11(18-10)15-4-2-14(3-5-15)6-7-17/h8,17H,2-7H2,1H3.
What are the key properties of 2-[4-(5-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]ethanol?
2-[4-(5-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]ethanol has a molecular weight of 267.36 g/mol, XLogP of 0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]ethanol is sourced from PubChem (CID 166703508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).