2-[(3-methyl-1,2,4-thiadiazol-5-yl)-pentan-3-ylamino]ethanol

C10H19N3OS — CID 65273333

IUPAC2-[(3-methyl-1,2,4-thiadiazol-5-yl)-pentan-3-ylamino]ethanol
SMILESCCC(CC)N(CCO)c1nc(C)ns1
InChIInChI=1S/C10H19N3OS/c1-4-9(5-2)13(6-7-14)10-11-8(3)12-15-10/h9,14H,4-7H2,1-3H3
InChIKeyRMRLUVKNURSILD-UHFFFAOYSA-N
MW229.35 g/mol
LogP1.83
Rot. Bonds6

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

2-[(3-methyl-1,2,4-thiadiazol-5-yl)-pentan-3-ylamino]ethanol (PubChem CID 65273333) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is 2-[(3-methyl-1,2,4-thiadiazol-5-yl)-pentan-3-ylamino]ethanol.

Molecular Properties

Compound Name2-[(3-methyl-1,2,4-thiadiazol-5-yl)-pentan-3-ylamino]ethanol
PubChem CID65273333
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC Name2-[(3-methyl-1,2,4-thiadiazol-5-yl)-pentan-3-ylamino]ethanol
SMILESCCC(CC)N(CCO)c1nc(C)ns1
InChIInChI=1S/C10H19N3OS/c1-4-9(5-2)13(6-7-14)10-11-8(3)12-15-10/h9,14H,4-7H2,1-3H3
InChIKeyRMRLUVKNURSILD-UHFFFAOYSA-N
XLogP1.83
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-1,2,4-thiadiazol-5-yl)-pentan-3-ylamino]ethanol?
The IUPAC name of 2-[(3-methyl-1,2,4-thiadiazol-5-yl)-pentan-3-ylamino]ethanol (CID 65273333) is 2-[(3-methyl-1,2,4-thiadiazol-5-yl)-pentan-3-ylamino]ethanol.
What is the SMILES notation for 2-[(3-methyl-1,2,4-thiadiazol-5-yl)-pentan-3-ylamino]ethanol?
The canonical SMILES for 2-[(3-methyl-1,2,4-thiadiazol-5-yl)-pentan-3-ylamino]ethanol is CCC(CC)N(CCO)c1nc(C)ns1.
What is the InChIKey of 2-[(3-methyl-1,2,4-thiadiazol-5-yl)-pentan-3-ylamino]ethanol?
The InChIKey is RMRLUVKNURSILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-4-9(5-2)13(6-7-14)10-11-8(3)12-15-10/h9,14H,4-7H2,1-3H3.
What are the key properties of 2-[(3-methyl-1,2,4-thiadiazol-5-yl)-pentan-3-ylamino]ethanol?
2-[(3-methyl-1,2,4-thiadiazol-5-yl)-pentan-3-ylamino]ethanol has a molecular weight of 229.35 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-1,2,4-thiadiazol-5-yl)-pentan-3-ylamino]ethanol is sourced from PubChem (CID 65273333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).