N-(2-ethoxy-2-methylpropyl)-3-ethyl-1,2,4-thiadiazol-5-amine

C10H19N3OS — CID 114943090

IUPACN-(2-ethoxy-2-methylpropyl)-3-ethyl-1,2,4-thiadiazol-5-amine
SMILESCCOC(C)(C)CNc1nc(CC)ns1
InChIInChI=1S/C10H19N3OS/c1-5-8-12-9(15-13-8)11-7-10(3,4)14-6-2/h5-7H2,1-4H3,(H,11,12,13)
InChIKeyKMJDMLSFRLIJIG-UHFFFAOYSA-N
MW229.35 g/mol
LogP2.33
Rot. Bonds6

About N-(2-ethoxy-2-methylpropyl)-3-ethyl-1,2,4-thiadiazol-5-amine

N-(2-ethoxy-2-methylpropyl)-3-ethyl-1,2,4-thiadiazol-5-amine (PubChem CID 114943090) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is N-(2-ethoxy-2-methylpropyl)-3-ethyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2-ethoxy-2-methylpropyl)-3-ethyl-1,2,4-thiadiazol-5-amine
PubChem CID114943090
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC NameN-(2-ethoxy-2-methylpropyl)-3-ethyl-1,2,4-thiadiazol-5-amine
SMILESCCOC(C)(C)CNc1nc(CC)ns1
InChIInChI=1S/C10H19N3OS/c1-5-8-12-9(15-13-8)11-7-10(3,4)14-6-2/h5-7H2,1-4H3,(H,11,12,13)
InChIKeyKMJDMLSFRLIJIG-UHFFFAOYSA-N
XLogP2.33
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-N-(2-ethyl-2-methylsulfanylbutyl)-1,2,4-thiadiazol-5-amine
CID 103736647
3-ethyl-N-(2-fluoroethyl)-1,2,4-thiadiazol-5-amine
CID 130478087
2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]acetonitrile
CID 131134565
3-ethyl-N-[2-(4-fluorophenyl)-2-methylpropyl]-1,2,4-thiadiazol-5-amine
CID 70975274
3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-2,3-dimethylbutan-2-ol
CID 106185437
N'-(3-ethyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine
CID 65272512
N'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 83039936
3-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]pentan-3-ol
CID 65274410
N-[2-(2-chloroethoxy)ethyl]-3-ethyl-1,2,4-thiadiazol-5-amine
CID 65277932
5-N-(2-methoxy-2-methylpropyl)-1,2,4-thiadiazole-3,5-diamine
CID 104766887
N-(4-chlorobutyl)-3-ethyl-1,2,4-thiadiazol-5-amine
CID 106845066
N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-3-ethyl-1,2,4-thiadiazol-5-amine
CID 133399736

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-2-methylpropyl)-3-ethyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2-ethoxy-2-methylpropyl)-3-ethyl-1,2,4-thiadiazol-5-amine (CID 114943090) is N-(2-ethoxy-2-methylpropyl)-3-ethyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2-ethoxy-2-methylpropyl)-3-ethyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2-ethoxy-2-methylpropyl)-3-ethyl-1,2,4-thiadiazol-5-amine is CCOC(C)(C)CNc1nc(CC)ns1.
What is the InChIKey of N-(2-ethoxy-2-methylpropyl)-3-ethyl-1,2,4-thiadiazol-5-amine?
The InChIKey is KMJDMLSFRLIJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-5-8-12-9(15-13-8)11-7-10(3,4)14-6-2/h5-7H2,1-4H3,(H,11,12,13).
What are the key properties of N-(2-ethoxy-2-methylpropyl)-3-ethyl-1,2,4-thiadiazol-5-amine?
N-(2-ethoxy-2-methylpropyl)-3-ethyl-1,2,4-thiadiazol-5-amine has a molecular weight of 229.35 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-2-methylpropyl)-3-ethyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 114943090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).