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

C12H23N3OS — CID 65275281

IUPAC2-[pentan-3-yl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethanol
SMILESCCCc1nsc(N(CCO)C(CC)CC)n1
InChIInChI=1S/C12H23N3OS/c1-4-7-11-13-12(17-14-11)15(8-9-16)10(5-2)6-3/h10,16H,4-9H2,1-3H3
InChIKeyGIUFTFOFFNYGPZ-UHFFFAOYSA-N
MW257.40 g/mol
LogP2.48
Rot. Bonds8

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

2-[pentan-3-yl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethanol (PubChem CID 65275281) has the molecular formula C12H23N3OS and a molecular weight of 257.40 g/mol. Its IUPAC name is 2-[pentan-3-yl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethanol.

Molecular Properties

Compound Name2-[pentan-3-yl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethanol
PubChem CID65275281
Molecular FormulaC12H23N3OS
Molecular Weight257.40 g/mol
Exact Mass257.16
IUPAC Name2-[pentan-3-yl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethanol
SMILESCCCc1nsc(N(CCO)C(CC)CC)n1
InChIInChI=1S/C12H23N3OS/c1-4-7-11-13-12(17-14-11)15(8-9-16)10(5-2)6-3/h10,16H,4-9H2,1-3H3
InChIKeyGIUFTFOFFNYGPZ-UHFFFAOYSA-N
XLogP2.48
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[pentan-3-yl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethanol?
The IUPAC name of 2-[pentan-3-yl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethanol (CID 65275281) is 2-[pentan-3-yl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethanol.
What is the SMILES notation for 2-[pentan-3-yl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethanol?
The canonical SMILES for 2-[pentan-3-yl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethanol is CCCc1nsc(N(CCO)C(CC)CC)n1.
What is the InChIKey of 2-[pentan-3-yl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethanol?
The InChIKey is GIUFTFOFFNYGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3OS/c1-4-7-11-13-12(17-14-11)15(8-9-16)10(5-2)6-3/h10,16H,4-9H2,1-3H3.
What are the key properties of 2-[pentan-3-yl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethanol?
2-[pentan-3-yl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethanol has a molecular weight of 257.40 g/mol, XLogP of 2.48, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[pentan-3-yl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethanol is sourced from PubChem (CID 65275281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).