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

C9H17N3OS — CID 65273331

IUPAC2-[butyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol
SMILESCCCCN(CCO)c1nc(C)ns1
InChIInChI=1S/C9H17N3OS/c1-3-4-5-12(6-7-13)9-10-8(2)11-14-9/h13H,3-7H2,1-2H3
InChIKeyVXSRVHBGXSPZGX-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.45
Rot. Bonds6

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

2-[butyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol (PubChem CID 65273331) has the molecular formula C9H17N3OS and a molecular weight of 215.32 g/mol. Its IUPAC name is 2-[butyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol.

Molecular Properties

Compound Name2-[butyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol
PubChem CID65273331
Molecular FormulaC9H17N3OS
Molecular Weight215.32 g/mol
Exact Mass215.11
IUPAC Name2-[butyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol
SMILESCCCCN(CCO)c1nc(C)ns1
InChIInChI=1S/C9H17N3OS/c1-3-4-5-12(6-7-13)9-10-8(2)11-14-9/h13H,3-7H2,1-2H3
InChIKeyVXSRVHBGXSPZGX-UHFFFAOYSA-N
XLogP1.45
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 ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,4S)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3,4-diol
CID 75435506
(2S)-4,4-dimethyl-2-[methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]pentan-1-ol
CID 125533336
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
1-[Methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol
CID 107305690
3-[Ethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol
CID 107305730
2-[Cyclobutyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305753

Frequently Asked Questions

What is the IUPAC name of 2-[butyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol?
The IUPAC name of 2-[butyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol (CID 65273331) is 2-[butyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol.
What is the SMILES notation for 2-[butyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol?
The canonical SMILES for 2-[butyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol is CCCCN(CCO)c1nc(C)ns1.
What is the InChIKey of 2-[butyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol?
The InChIKey is VXSRVHBGXSPZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS/c1-3-4-5-12(6-7-13)9-10-8(2)11-14-9/h13H,3-7H2,1-2H3.
What are the key properties of 2-[butyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol?
2-[butyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol has a molecular weight of 215.32 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol is sourced from PubChem (CID 65273331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).