2-[cyclopentyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]ethanol

C13H24N4OS — CID 55046133

IUPAC2-[cyclopentyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]ethanol
SMILESCCCNc1snnc1CN(CCO)C1CCCC1
InChIInChI=1S/C13H24N4OS/c1-2-7-14-13-12(15-16-19-13)10-17(8-9-18)11-5-3-4-6-11/h11,14,18H,2-10H2,1H3
InChIKeyXOQJXNBPSRIISI-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.10
Rot. Bonds8

About 2-[cyclopentyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]ethanol

2-[cyclopentyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]ethanol (PubChem CID 55046133) has the molecular formula C13H24N4OS and a molecular weight of 284.43 g/mol. Its IUPAC name is 2-[cyclopentyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]ethanol.

Molecular Properties

Compound Name2-[cyclopentyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]ethanol
PubChem CID55046133
Molecular FormulaC13H24N4OS
Molecular Weight284.43 g/mol
Exact Mass284.17
IUPAC Name2-[cyclopentyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]ethanol
SMILESCCCNc1snnc1CN(CCO)C1CCCC1
InChIInChI=1S/C13H24N4OS/c1-2-7-14-13-12(15-16-19-13)10-17(8-9-18)11-5-3-4-6-11/h11,14,18H,2-10H2,1H3
InChIKeyXOQJXNBPSRIISI-UHFFFAOYSA-N
XLogP2.10
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]ethanol?
The IUPAC name of 2-[cyclopentyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]ethanol (CID 55046133) is 2-[cyclopentyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]ethanol.
What is the SMILES notation for 2-[cyclopentyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]ethanol?
The canonical SMILES for 2-[cyclopentyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]ethanol is CCCNc1snnc1CN(CCO)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]ethanol?
The InChIKey is XOQJXNBPSRIISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4OS/c1-2-7-14-13-12(15-16-19-13)10-17(8-9-18)11-5-3-4-6-11/h11,14,18H,2-10H2,1H3.
What are the key properties of 2-[cyclopentyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]ethanol?
2-[cyclopentyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]ethanol has a molecular weight of 284.43 g/mol, XLogP of 2.10, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]ethanol is sourced from PubChem (CID 55046133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).