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

C12H23N5OS — CID 80606878

IUPAC2-[4-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]piperazin-1-yl]ethanol
SMILESCCCNc1nnc(CN2CCN(CCO)CC2)s1
InChIInChI=1S/C12H23N5OS/c1-2-3-13-12-15-14-11(19-12)10-17-6-4-16(5-7-17)8-9-18/h18H,2-10H2,1H3,(H,13,15)
InChIKeyYCVGAIBDYHLBNJ-UHFFFAOYSA-N
MW285.42 g/mol
LogP0.47
Rot. Bonds7

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

2-[4-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]piperazin-1-yl]ethanol (PubChem CID 80606878) has the molecular formula C12H23N5OS and a molecular weight of 285.42 g/mol. Its IUPAC name is 2-[4-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]piperazin-1-yl]ethanol
PubChem CID80606878
Molecular FormulaC12H23N5OS
Molecular Weight285.42 g/mol
Exact Mass285.16
IUPAC Name2-[4-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]piperazin-1-yl]ethanol
SMILESCCCNc1nnc(CN2CCN(CCO)CC2)s1
InChIInChI=1S/C12H23N5OS/c1-2-3-13-12-15-14-11(19-12)10-17-6-4-16(5-7-17)8-9-18/h18H,2-10H2,1H3,(H,13,15)
InChIKeyYCVGAIBDYHLBNJ-UHFFFAOYSA-N
XLogP0.47
TPSA64.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]piperazin-1-yl]ethanol (CID 80606878) is 2-[4-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]piperazin-1-yl]ethanol is CCCNc1nnc(CN2CCN(CCO)CC2)s1.
What is the InChIKey of 2-[4-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]piperazin-1-yl]ethanol?
The InChIKey is YCVGAIBDYHLBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5OS/c1-2-3-13-12-15-14-11(19-12)10-17-6-4-16(5-7-17)8-9-18/h18H,2-10H2,1H3,(H,13,15).
What are the key properties of 2-[4-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]piperazin-1-yl]ethanol?
2-[4-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]piperazin-1-yl]ethanol has a molecular weight of 285.42 g/mol, XLogP of 0.47, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 80606878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).