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

C10H13N3OS2 — CID 65267650

IUPACN-(2-methoxyethyl)-3-(thiophen-2-ylmethyl)-1,2,4-thiadiazol-5-amine
SMILESCOCCNc1nc(Cc2cccs2)ns1
InChIInChI=1S/C10H13N3OS2/c1-14-5-4-11-10-12-9(13-16-10)7-8-3-2-6-15-8/h2-3,6H,4-5,7H2,1H3,(H,11,12,13)
InChIKeyYXBGYUFNXDTPTK-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.25
Rot. Bonds6

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

N-(2-methoxyethyl)-3-(thiophen-2-ylmethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65267650) has the molecular formula C10H13N3OS2 and a molecular weight of 255.37 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-(thiophen-2-ylmethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-(thiophen-2-ylmethyl)-1,2,4-thiadiazol-5-amine
PubChem CID65267650
Molecular FormulaC10H13N3OS2
Molecular Weight255.37 g/mol
Exact Mass255.05
IUPAC NameN-(2-methoxyethyl)-3-(thiophen-2-ylmethyl)-1,2,4-thiadiazol-5-amine
SMILESCOCCNc1nc(Cc2cccs2)ns1
InChIInChI=1S/C10H13N3OS2/c1-14-5-4-11-10-12-9(13-16-10)7-8-3-2-6-15-8/h2-3,6H,4-5,7H2,1H3,(H,11,12,13)
InChIKeyYXBGYUFNXDTPTK-UHFFFAOYSA-N
XLogP2.25
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-(thiophen-2-ylmethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2-methoxyethyl)-3-(thiophen-2-ylmethyl)-1,2,4-thiadiazol-5-amine (CID 65267650) is N-(2-methoxyethyl)-3-(thiophen-2-ylmethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2-methoxyethyl)-3-(thiophen-2-ylmethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2-methoxyethyl)-3-(thiophen-2-ylmethyl)-1,2,4-thiadiazol-5-amine is COCCNc1nc(Cc2cccs2)ns1.
What is the InChIKey of N-(2-methoxyethyl)-3-(thiophen-2-ylmethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is YXBGYUFNXDTPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS2/c1-14-5-4-11-10-12-9(13-16-10)7-8-3-2-6-15-8/h2-3,6H,4-5,7H2,1H3,(H,11,12,13).
What are the key properties of N-(2-methoxyethyl)-3-(thiophen-2-ylmethyl)-1,2,4-thiadiazol-5-amine?
N-(2-methoxyethyl)-3-(thiophen-2-ylmethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 255.37 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-(thiophen-2-ylmethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65267650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).