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

C11H21N3OS — CID 103844380

IUPAC2-ethyl-2-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]butan-1-ol
SMILESCCc1nsc(NCC(CC)(CC)CO)n1
InChIInChI=1S/C11H21N3OS/c1-4-9-13-10(16-14-9)12-7-11(5-2,6-3)8-15/h15H,4-8H2,1-3H3,(H,12,13,14)
InChIKeyXAKBQPUAWYZTKA-UHFFFAOYSA-N
MW243.38 g/mol
LogP2.31
Rot. Bonds7

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

2-ethyl-2-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]butan-1-ol (PubChem CID 103844380) has the molecular formula C11H21N3OS and a molecular weight of 243.38 g/mol. Its IUPAC name is 2-ethyl-2-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]butan-1-ol
PubChem CID103844380
Molecular FormulaC11H21N3OS
Molecular Weight243.38 g/mol
Exact Mass243.14
IUPAC Name2-ethyl-2-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]butan-1-ol
SMILESCCc1nsc(NCC(CC)(CC)CO)n1
InChIInChI=1S/C11H21N3OS/c1-4-9-13-10(16-14-9)12-7-11(5-2,6-3)8-15/h15H,4-8H2,1-3H3,(H,12,13,14)
InChIKeyXAKBQPUAWYZTKA-UHFFFAOYSA-N
XLogP2.31
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-ethyl-2-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]butan-1-ol with MolForge

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Related Compounds

[2-[(3-Ethyl-1,2,4-thiadiazol-5-yl)amino]-1-methylcyclopentyl]methanol
CID 71976852
4-[[3-(2-Methylpropyl)-1,2,4-thiadiazol-5-yl]amino]but-2-yn-1-ol
CID 132300947
[(1S,2S)-1-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]cyclopentyl]methanol
CID 99846985
3-[(3-Tert-butyl-1,2,4-thiadiazol-5-yl)amino]-2,2-difluoropropan-1-ol
CID 104952840
3,3-Dimethyl-4-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butan-1-ol
CID 106144393
2,2-Difluoro-3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol
CID 106172174
2-Ethyl-2-[[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]butan-1-ol
CID 106254685
4,4-Dimethyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pentan-1-ol
CID 106350888
2-[1-[[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]methyl]cyclopropyl]ethanol
CID 113944001
4,4-Dimethyl-5-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pentan-1-ol
CID 114149648
3-[(3-Methyl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol
CID 65267680
4-Methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pentan-1-ol
CID 65267866

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]butan-1-ol?
The IUPAC name of 2-ethyl-2-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]butan-1-ol (CID 103844380) is 2-ethyl-2-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]butan-1-ol is CCc1nsc(NCC(CC)(CC)CO)n1.
What is the InChIKey of 2-ethyl-2-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]butan-1-ol?
The InChIKey is XAKBQPUAWYZTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3OS/c1-4-9-13-10(16-14-9)12-7-11(5-2,6-3)8-15/h15H,4-8H2,1-3H3,(H,12,13,14).
What are the key properties of 2-ethyl-2-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]butan-1-ol?
2-ethyl-2-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]butan-1-ol has a molecular weight of 243.38 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]butan-1-ol is sourced from PubChem (CID 103844380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).