2-[(3-amino-1,2,4-thiadiazol-5-yl)-cyclohexylamino]ethanol

C10H18N4OS — CID 66279679

IUPAC2-[(3-amino-1,2,4-thiadiazol-5-yl)-cyclohexylamino]ethanol
SMILESNc1nsc(N(CCO)C2CCCCC2)n1
InChIInChI=1S/C10H18N4OS/c11-9-12-10(16-13-9)14(6-7-15)8-4-2-1-3-5-8/h8,15H,1-7H2,(H2,11,13)
InChIKeyPRNUORQZJQACKO-UHFFFAOYSA-N
MW242.35 g/mol
LogP1.25
Rot. Bonds4

About 2-[(3-amino-1,2,4-thiadiazol-5-yl)-cyclohexylamino]ethanol

2-[(3-amino-1,2,4-thiadiazol-5-yl)-cyclohexylamino]ethanol (PubChem CID 66279679) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is 2-[(3-amino-1,2,4-thiadiazol-5-yl)-cyclohexylamino]ethanol.

Molecular Properties

Compound Name2-[(3-amino-1,2,4-thiadiazol-5-yl)-cyclohexylamino]ethanol
PubChem CID66279679
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC Name2-[(3-amino-1,2,4-thiadiazol-5-yl)-cyclohexylamino]ethanol
SMILESNc1nsc(N(CCO)C2CCCCC2)n1
InChIInChI=1S/C10H18N4OS/c11-9-12-10(16-13-9)14(6-7-15)8-4-2-1-3-5-8/h8,15H,1-7H2,(H2,11,13)
InChIKeyPRNUORQZJQACKO-UHFFFAOYSA-N
XLogP1.25
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-1,2,4-thiadiazol-5-yl)-cyclohexylamino]ethanol?
The IUPAC name of 2-[(3-amino-1,2,4-thiadiazol-5-yl)-cyclohexylamino]ethanol (CID 66279679) is 2-[(3-amino-1,2,4-thiadiazol-5-yl)-cyclohexylamino]ethanol.
What is the SMILES notation for 2-[(3-amino-1,2,4-thiadiazol-5-yl)-cyclohexylamino]ethanol?
The canonical SMILES for 2-[(3-amino-1,2,4-thiadiazol-5-yl)-cyclohexylamino]ethanol is Nc1nsc(N(CCO)C2CCCCC2)n1.
What is the InChIKey of 2-[(3-amino-1,2,4-thiadiazol-5-yl)-cyclohexylamino]ethanol?
The InChIKey is PRNUORQZJQACKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS/c11-9-12-10(16-13-9)14(6-7-15)8-4-2-1-3-5-8/h8,15H,1-7H2,(H2,11,13).
What are the key properties of 2-[(3-amino-1,2,4-thiadiazol-5-yl)-cyclohexylamino]ethanol?
2-[(3-amino-1,2,4-thiadiazol-5-yl)-cyclohexylamino]ethanol has a molecular weight of 242.35 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-1,2,4-thiadiazol-5-yl)-cyclohexylamino]ethanol is sourced from PubChem (CID 66279679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).