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

C10H19N3OS — CID 103844310

IUPAC2-ethyl-2-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]butan-1-ol
SMILESCCC(CC)(CO)CNc1nc(C)ns1
InChIInChI=1S/C10H19N3OS/c1-4-10(5-2,7-14)6-11-9-12-8(3)13-15-9/h14H,4-7H2,1-3H3,(H,11,12,13)
InChIKeyOFYFJTFAAHEDKP-UHFFFAOYSA-N
MW229.35 g/mol
LogP2.06
Rot. Bonds6

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

2-ethyl-2-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]butan-1-ol (PubChem CID 103844310) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is 2-ethyl-2-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]butan-1-ol
PubChem CID103844310
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC Name2-ethyl-2-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]butan-1-ol
SMILESCCC(CC)(CO)CNc1nc(C)ns1
InChIInChI=1S/C10H19N3OS/c1-4-10(5-2,7-14)6-11-9-12-8(3)13-15-9/h14H,4-7H2,1-3H3,(H,11,12,13)
InChIKeyOFYFJTFAAHEDKP-UHFFFAOYSA-N
XLogP2.06
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]butan-1-ol?
The IUPAC name of 2-ethyl-2-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]butan-1-ol (CID 103844310) is 2-ethyl-2-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]butan-1-ol is CCC(CC)(CO)CNc1nc(C)ns1.
What is the InChIKey of 2-ethyl-2-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]butan-1-ol?
The InChIKey is OFYFJTFAAHEDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-4-10(5-2,7-14)6-11-9-12-8(3)13-15-9/h14H,4-7H2,1-3H3,(H,11,12,13).
What are the key properties of 2-ethyl-2-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]butan-1-ol?
2-ethyl-2-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]butan-1-ol has a molecular weight of 229.35 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]butan-1-ol is sourced from PubChem (CID 103844310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).