1-[5-(3-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine

C9H11N3OS2 — CID 81129833

IUPAC1-[5-(3-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine
SMILESCOc1ccsc1-c1nnc(C(C)N)s1
InChIInChI=1S/C9H11N3OS2/c1-5(10)8-11-12-9(15-8)7-6(13-2)3-4-14-7/h3-5H,10H2,1-2H3
InChIKeyXTZKYJBRFZDOOF-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.29
Rot. Bonds3

About 1-[5-(3-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine

1-[5-(3-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine (PubChem CID 81129833) has the molecular formula C9H11N3OS2 and a molecular weight of 241.34 g/mol. Its IUPAC name is 1-[5-(3-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[5-(3-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine
PubChem CID81129833
Molecular FormulaC9H11N3OS2
Molecular Weight241.34 g/mol
Exact Mass241.03
IUPAC Name1-[5-(3-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine
SMILESCOc1ccsc1-c1nnc(C(C)N)s1
InChIInChI=1S/C9H11N3OS2/c1-5(10)8-11-12-9(15-8)7-6(13-2)3-4-14-7/h3-5H,10H2,1-2H3
InChIKeyXTZKYJBRFZDOOF-UHFFFAOYSA-N
XLogP2.29
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine?
The IUPAC name of 1-[5-(3-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine (CID 81129833) is 1-[5-(3-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine.
What is the SMILES notation for 1-[5-(3-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine?
The canonical SMILES for 1-[5-(3-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine is COc1ccsc1-c1nnc(C(C)N)s1.
What is the InChIKey of 1-[5-(3-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine?
The InChIKey is XTZKYJBRFZDOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3OS2/c1-5(10)8-11-12-9(15-8)7-6(13-2)3-4-14-7/h3-5H,10H2,1-2H3.
What are the key properties of 1-[5-(3-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine?
1-[5-(3-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine has a molecular weight of 241.34 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine is sourced from PubChem (CID 81129833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).