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

C11H20N4OS — CID 62208996

IUPAC2-[cyclopropyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]ethanol
SMILESCCCNc1snnc1CN(CCO)C1CC1
InChIInChI=1S/C11H20N4OS/c1-2-5-12-11-10(13-14-17-11)8-15(6-7-16)9-3-4-9/h9,12,16H,2-8H2,1H3
InChIKeyLCCCCTXUXDUZJD-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.32
Rot. Bonds8

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

2-[cyclopropyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]ethanol (PubChem CID 62208996) has the molecular formula C11H20N4OS and a molecular weight of 256.37 g/mol. Its IUPAC name is 2-[cyclopropyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]ethanol.

Molecular Properties

Compound Name2-[cyclopropyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]ethanol
PubChem CID62208996
Molecular FormulaC11H20N4OS
Molecular Weight256.37 g/mol
Exact Mass256.14
IUPAC Name2-[cyclopropyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]ethanol
SMILESCCCNc1snnc1CN(CCO)C1CC1
InChIInChI=1S/C11H20N4OS/c1-2-5-12-11-10(13-14-17-11)8-15(6-7-16)9-3-4-9/h9,12,16H,2-8H2,1H3
InChIKeyLCCCCTXUXDUZJD-UHFFFAOYSA-N
XLogP1.32
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]ethanol?
The IUPAC name of 2-[cyclopropyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]ethanol (CID 62208996) is 2-[cyclopropyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]ethanol.
What is the SMILES notation for 2-[cyclopropyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]ethanol?
The canonical SMILES for 2-[cyclopropyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]ethanol is CCCNc1snnc1CN(CCO)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]ethanol?
The InChIKey is LCCCCTXUXDUZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4OS/c1-2-5-12-11-10(13-14-17-11)8-15(6-7-16)9-3-4-9/h9,12,16H,2-8H2,1H3.
What are the key properties of 2-[cyclopropyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]ethanol?
2-[cyclopropyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]ethanol has a molecular weight of 256.37 g/mol, XLogP of 1.32, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]ethanol is sourced from PubChem (CID 62208996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).