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

C7H13N3OS — CID 65271034

IUPAC2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethanol
SMILESCC(C)c1nsc(NCCO)n1
InChIInChI=1S/C7H13N3OS/c1-5(2)6-9-7(12-10-6)8-3-4-11/h5,11H,3-4H2,1-2H3,(H,8,9,10)
InChIKeyBUAFAKVKGAVFJE-UHFFFAOYSA-N
MW187.27 g/mol
LogP1.07
Rot. Bonds4

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

2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethanol (PubChem CID 65271034) has the molecular formula C7H13N3OS and a molecular weight of 187.27 g/mol. Its IUPAC name is 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethanol
PubChem CID65271034
Molecular FormulaC7H13N3OS
Molecular Weight187.27 g/mol
Exact Mass187.08
IUPAC Name2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethanol
SMILESCC(C)c1nsc(NCCO)n1
InChIInChI=1S/C7H13N3OS/c1-5(2)6-9-7(12-10-6)8-3-4-11/h5,11H,3-4H2,1-2H3,(H,8,9,10)
InChIKeyBUAFAKVKGAVFJE-UHFFFAOYSA-N
XLogP1.07
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.27
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethanol?
The IUPAC name of 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethanol (CID 65271034) is 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethanol.
What is the SMILES notation for 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethanol?
The canonical SMILES for 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethanol is CC(C)c1nsc(NCCO)n1.
What is the InChIKey of 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethanol?
The InChIKey is BUAFAKVKGAVFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3OS/c1-5(2)6-9-7(12-10-6)8-3-4-11/h5,11H,3-4H2,1-2H3,(H,8,9,10).
What are the key properties of 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethanol?
2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethanol has a molecular weight of 187.27 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethanol is sourced from PubChem (CID 65271034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).