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

C9H17N3OS — CID 65274660

IUPAC2-[ethyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethanol
SMILESCCCc1nsc(N(CC)CCO)n1
InChIInChI=1S/C9H17N3OS/c1-3-5-8-10-9(14-11-8)12(4-2)6-7-13/h13H,3-7H2,1-2H3
InChIKeyPZUOKXDAWNTHNP-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.31
Rot. Bonds6

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

2-[ethyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethanol (PubChem CID 65274660) has the molecular formula C9H17N3OS and a molecular weight of 215.32 g/mol. Its IUPAC name is 2-[ethyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethanol.

Molecular Properties

Compound Name2-[ethyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethanol
PubChem CID65274660
Molecular FormulaC9H17N3OS
Molecular Weight215.32 g/mol
Exact Mass215.11
IUPAC Name2-[ethyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethanol
SMILESCCCc1nsc(N(CC)CCO)n1
InChIInChI=1S/C9H17N3OS/c1-3-5-8-10-9(14-11-8)12(4-2)6-7-13/h13H,3-7H2,1-2H3
InChIKeyPZUOKXDAWNTHNP-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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Related Compounds

(3-Ethyl-1,2,4-thiadiazol-5-yl)methanol
CID 67257370
(3R,4S)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3,4-diol
CID 75435506
1-[2-Methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-2-ol
CID 136528487
(2S)-1-[cyclopropyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
CID 164639795
2-[Propan-2-yl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305659
2-[Ethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305672
2-[Propyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305679
2-[Butyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305680
2-[Pentan-3-yl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305683
2-[2,2-Difluoroethyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]ethanol
CID 107484110
2-[2,2-Difluoroethyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethanol
CID 107484111
2-[2,2-Difluoroethyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol
CID 107484209

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethanol?
The IUPAC name of 2-[ethyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethanol (CID 65274660) is 2-[ethyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethanol.
What is the SMILES notation for 2-[ethyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethanol?
The canonical SMILES for 2-[ethyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethanol is CCCc1nsc(N(CC)CCO)n1.
What is the InChIKey of 2-[ethyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethanol?
The InChIKey is PZUOKXDAWNTHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS/c1-3-5-8-10-9(14-11-8)12(4-2)6-7-13/h13H,3-7H2,1-2H3.
What are the key properties of 2-[ethyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethanol?
2-[ethyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethanol 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 2-[ethyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]ethanol is sourced from PubChem (CID 65274660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).