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

C7H13N3OS — CID 65208612

IUPAC2-[ethyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol
SMILESCCN(CCO)c1nnc(C)s1
InChIInChI=1S/C7H13N3OS/c1-3-10(4-5-11)7-9-8-6(2)12-7/h11H,3-5H2,1-2H3
InChIKeyORUGEYNPUWQZQG-UHFFFAOYSA-N
MW187.27 g/mol
LogP0.67
Rot. Bonds4

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

2-[ethyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol (PubChem CID 65208612) has the molecular formula C7H13N3OS and a molecular weight of 187.27 g/mol. Its IUPAC name is 2-[ethyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol.

Molecular Properties

Compound Name2-[ethyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol
PubChem CID65208612
Molecular FormulaC7H13N3OS
Molecular Weight187.27 g/mol
Exact Mass187.08
IUPAC Name2-[ethyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol
SMILESCCN(CCO)c1nnc(C)s1
InChIInChI=1S/C7H13N3OS/c1-3-10(4-5-11)7-9-8-6(2)12-7/h11H,3-5H2,1-2H3
InChIKeyORUGEYNPUWQZQG-UHFFFAOYSA-N
XLogP0.67
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.27
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol?
The IUPAC name of 2-[ethyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol (CID 65208612) is 2-[ethyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol.
What is the SMILES notation for 2-[ethyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol?
The canonical SMILES for 2-[ethyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol is CCN(CCO)c1nnc(C)s1.
What is the InChIKey of 2-[ethyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol?
The InChIKey is ORUGEYNPUWQZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3OS/c1-3-10(4-5-11)7-9-8-6(2)12-7/h11H,3-5H2,1-2H3.
What are the key properties of 2-[ethyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol?
2-[ethyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol has a molecular weight of 187.27 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol is sourced from PubChem (CID 65208612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).