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

C9H17N3OS — CID 115886093

IUPAC3-[ethyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol
SMILESCCc1nsc(N(CC)CCCO)n1
InChIInChI=1S/C9H17N3OS/c1-3-8-10-9(14-11-8)12(4-2)6-5-7-13/h13H,3-7H2,1-2H3
InChIKeyKXJHLSDXLFUUKP-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.31
Rot. Bonds6

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

3-[ethyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol (PubChem CID 115886093) has the molecular formula C9H17N3OS and a molecular weight of 215.32 g/mol. Its IUPAC name is 3-[ethyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[ethyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol
PubChem CID115886093
Molecular FormulaC9H17N3OS
Molecular Weight215.32 g/mol
Exact Mass215.11
IUPAC Name3-[ethyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol
SMILESCCc1nsc(N(CC)CCCO)n1
InChIInChI=1S/C9H17N3OS/c1-3-8-10-9(14-11-8)12(4-2)6-5-7-13/h13H,3-7H2,1-2H3
InChIKeyKXJHLSDXLFUUKP-UHFFFAOYSA-N
XLogP1.31
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol?
The IUPAC name of 3-[ethyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol (CID 115886093) is 3-[ethyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol.
What is the SMILES notation for 3-[ethyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol?
The canonical SMILES for 3-[ethyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol is CCc1nsc(N(CC)CCCO)n1.
What is the InChIKey of 3-[ethyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol?
The InChIKey is KXJHLSDXLFUUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS/c1-3-8-10-9(14-11-8)12(4-2)6-5-7-13/h13H,3-7H2,1-2H3.
What are the key properties of 3-[ethyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol?
3-[ethyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol has a molecular weight of 215.32 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol is sourced from PubChem (CID 115886093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).