3-(2-methoxyethyl)-N-(2-thiophen-2-ylethyl)-1,2,4-thiadiazol-5-amine

C11H15N3OS2 — CID 133358188

IUPAC3-(2-methoxyethyl)-N-(2-thiophen-2-ylethyl)-1,2,4-thiadiazol-5-amine
SMILESCOCCc1nsc(NCCc2cccs2)n1
InChIInChI=1S/C11H15N3OS2/c1-15-7-5-10-13-11(17-14-10)12-6-4-9-3-2-8-16-9/h2-3,8H,4-7H2,1H3,(H,12,13,14)
InChIKeyAZRDDXQRTNZSJZ-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.44
Rot. Bonds7

About 3-(2-methoxyethyl)-N-(2-thiophen-2-ylethyl)-1,2,4-thiadiazol-5-amine

3-(2-methoxyethyl)-N-(2-thiophen-2-ylethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 133358188) has the molecular formula C11H15N3OS2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-N-(2-thiophen-2-ylethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(2-methoxyethyl)-N-(2-thiophen-2-ylethyl)-1,2,4-thiadiazol-5-amine
PubChem CID133358188
Molecular FormulaC11H15N3OS2
Molecular Weight269.39 g/mol
Exact Mass269.07
IUPAC Name3-(2-methoxyethyl)-N-(2-thiophen-2-ylethyl)-1,2,4-thiadiazol-5-amine
SMILESCOCCc1nsc(NCCc2cccs2)n1
InChIInChI=1S/C11H15N3OS2/c1-15-7-5-10-13-11(17-14-10)12-6-4-9-3-2-8-16-9/h2-3,8H,4-7H2,1H3,(H,12,13,14)
InChIKeyAZRDDXQRTNZSJZ-UHFFFAOYSA-N
XLogP2.44
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyethyl)-3-(thiophen-2-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 65267650
4-N-(2-methoxyethyl)-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
CID 19150523
3-methoxy-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 60925441
N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine
CID 29276059
4-methoxy-5-N-(2-thiophen-2-ylethyl)-1,2-thiazole-3,5-diamine
CID 103382595
(2S)-1-methoxy-N-(2-thiophen-2-ylethyl)propan-2-amine
CID 94472999
5-[(2-methoxyethylamino)methyl]-N-(2-thiophen-2-ylethyl)-1,3,4-oxadiazol-2-amine
CID 106968158
2-(8-methoxyoctyl)thiophene
CID 139537837
N-[2-[4-(2-methoxyethyl)phenoxy]ethyl]-2-thiophen-2-ylethanamine
CID 62598944
2-(2-methoxyethylamino)-N-(2-thiophen-2-ylethyl)acetamide;hydrochloride
CID 119687947
4-hydrazinyl-6-methoxy-N-(2-thiophen-2-ylethyl)-1,3,5-triazin-2-amine
CID 80943741
2-(3-chlorophenyl)-1-[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]propan-2-ol
CID 133472972

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-N-(2-thiophen-2-ylethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(2-methoxyethyl)-N-(2-thiophen-2-ylethyl)-1,2,4-thiadiazol-5-amine (CID 133358188) is 3-(2-methoxyethyl)-N-(2-thiophen-2-ylethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(2-methoxyethyl)-N-(2-thiophen-2-ylethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(2-methoxyethyl)-N-(2-thiophen-2-ylethyl)-1,2,4-thiadiazol-5-amine is COCCc1nsc(NCCc2cccs2)n1.
What is the InChIKey of 3-(2-methoxyethyl)-N-(2-thiophen-2-ylethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is AZRDDXQRTNZSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS2/c1-15-7-5-10-13-11(17-14-10)12-6-4-9-3-2-8-16-9/h2-3,8H,4-7H2,1H3,(H,12,13,14).
What are the key properties of 3-(2-methoxyethyl)-N-(2-thiophen-2-ylethyl)-1,2,4-thiadiazol-5-amine?
3-(2-methoxyethyl)-N-(2-thiophen-2-ylethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 269.39 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-N-(2-thiophen-2-ylethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133358188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).