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

C11H21N3OS — CID 116734310

IUPAC3-(1-ethoxy-2,2-dimethylpropyl)-N-ethyl-1,2,4-thiadiazol-5-amine
SMILESCCNc1nc(C(OCC)C(C)(C)C)ns1
InChIInChI=1S/C11H21N3OS/c1-6-12-10-13-9(14-16-10)8(15-7-2)11(3,4)5/h8H,6-7H2,1-5H3,(H,12,13,14)
InChIKeyMSHNWHOSNNJTIB-UHFFFAOYSA-N
MW243.38 g/mol
LogP3.09
Rot. Bonds5

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

3-(1-ethoxy-2,2-dimethylpropyl)-N-ethyl-1,2,4-thiadiazol-5-amine (PubChem CID 116734310) has the molecular formula C11H21N3OS and a molecular weight of 243.38 g/mol. Its IUPAC name is 3-(1-ethoxy-2,2-dimethylpropyl)-N-ethyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(1-ethoxy-2,2-dimethylpropyl)-N-ethyl-1,2,4-thiadiazol-5-amine
PubChem CID116734310
Molecular FormulaC11H21N3OS
Molecular Weight243.38 g/mol
Exact Mass243.14
IUPAC Name3-(1-ethoxy-2,2-dimethylpropyl)-N-ethyl-1,2,4-thiadiazol-5-amine
SMILESCCNc1nc(C(OCC)C(C)(C)C)ns1
InChIInChI=1S/C11H21N3OS/c1-6-12-10-13-9(14-16-10)8(15-7-2)11(3,4)5/h8H,6-7H2,1-5H3,(H,12,13,14)
InChIKeyMSHNWHOSNNJTIB-UHFFFAOYSA-N
XLogP3.09
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-thiadiazol-5-amine
CID 116734357
2-(1-ethoxy-2,2-dimethylpropyl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 116730068
2-(1-ethoxy-2,2-dimethylpropyl)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 116728558
4,6-dibromo-2-(1-ethoxy-2,2-dimethylpropyl)pyrimidine
CID 116706766
3-propan-2-yl-N-propyl-1,2,4-thiadiazol-5-amine
CID 65269095
1-[3-(1-ethoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine
CID 116704244
3-[2-(1-ethoxy-2,2-dimethylpropyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine
CID 116731611
N-[[2-(1-ethoxy-2,2-dimethylpropyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 116727895
[2-(1-ethoxy-2,2-dimethylpropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine
CID 116730417
5-bromo-2-(1-ethoxy-2,2-dimethylpropyl)pyrimidin-4-amine
CID 116729783
4-chloro-2-(1-ethoxy-2,2-dimethylpropyl)thieno[2,3-d]pyrimidine
CID 116701232
1-cyclopropyl-2-[3-(1-ethoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine
CID 116733585

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethoxy-2,2-dimethylpropyl)-N-ethyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(1-ethoxy-2,2-dimethylpropyl)-N-ethyl-1,2,4-thiadiazol-5-amine (CID 116734310) is 3-(1-ethoxy-2,2-dimethylpropyl)-N-ethyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(1-ethoxy-2,2-dimethylpropyl)-N-ethyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(1-ethoxy-2,2-dimethylpropyl)-N-ethyl-1,2,4-thiadiazol-5-amine is CCNc1nc(C(OCC)C(C)(C)C)ns1.
What is the InChIKey of 3-(1-ethoxy-2,2-dimethylpropyl)-N-ethyl-1,2,4-thiadiazol-5-amine?
The InChIKey is MSHNWHOSNNJTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3OS/c1-6-12-10-13-9(14-16-10)8(15-7-2)11(3,4)5/h8H,6-7H2,1-5H3,(H,12,13,14).
What are the key properties of 3-(1-ethoxy-2,2-dimethylpropyl)-N-ethyl-1,2,4-thiadiazol-5-amine?
3-(1-ethoxy-2,2-dimethylpropyl)-N-ethyl-1,2,4-thiadiazol-5-amine has a molecular weight of 243.38 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethoxy-2,2-dimethylpropyl)-N-ethyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 116734310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).