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

C7H13N3OS — CID 65271273

IUPAC1-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
SMILESCCc1nsc(NCC(C)O)n1
InChIInChI=1S/C7H13N3OS/c1-3-6-9-7(12-10-6)8-4-5(2)11/h5,11H,3-4H2,1-2H3,(H,8,9,10)
InChIKeyCFAAAYBDYGQUMU-UHFFFAOYSA-N
MW187.27 g/mol
LogP0.89
Rot. Bonds4

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

1-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol (PubChem CID 65271273) has the molecular formula C7H13N3OS and a molecular weight of 187.27 g/mol. Its IUPAC name is 1-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
PubChem CID65271273
Molecular FormulaC7H13N3OS
Molecular Weight187.27 g/mol
Exact Mass187.08
IUPAC Name1-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
SMILESCCc1nsc(NCC(C)O)n1
InChIInChI=1S/C7H13N3OS/c1-3-6-9-7(12-10-6)8-4-5(2)11/h5,11H,3-4H2,1-2H3,(H,8,9,10)
InChIKeyCFAAAYBDYGQUMU-UHFFFAOYSA-N
XLogP0.89
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 ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol?
The IUPAC name of 1-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol (CID 65271273) is 1-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol.
What is the SMILES notation for 1-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol?
The canonical SMILES for 1-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol is CCc1nsc(NCC(C)O)n1.
What is the InChIKey of 1-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol?
The InChIKey is CFAAAYBDYGQUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3OS/c1-3-6-9-7(12-10-6)8-4-5(2)11/h5,11H,3-4H2,1-2H3,(H,8,9,10).
What are the key properties of 1-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol?
1-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol has a molecular weight of 187.27 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol is sourced from PubChem (CID 65271273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).