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

C9H11N3OS2 — CID 81128364

IUPAC2-[5-(3-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine
SMILESCOc1ccsc1-c1nnc(CCN)s1
InChIInChI=1S/C9H11N3OS2/c1-13-6-3-5-14-8(6)9-12-11-7(15-9)2-4-10/h3,5H,2,4,10H2,1H3
InChIKeyWVSCKXKMOZRIKT-UHFFFAOYSA-N
MW241.34 g/mol
LogP1.78
Rot. Bonds4

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

2-[5-(3-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine (PubChem CID 81128364) has the molecular formula C9H11N3OS2 and a molecular weight of 241.34 g/mol. Its IUPAC name is 2-[5-(3-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(3-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine
PubChem CID81128364
Molecular FormulaC9H11N3OS2
Molecular Weight241.34 g/mol
Exact Mass241.03
IUPAC Name2-[5-(3-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine
SMILESCOc1ccsc1-c1nnc(CCN)s1
InChIInChI=1S/C9H11N3OS2/c1-13-6-3-5-14-8(6)9-12-11-7(15-9)2-4-10/h3,5H,2,4,10H2,1H3
InChIKeyWVSCKXKMOZRIKT-UHFFFAOYSA-N
XLogP1.78
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine?
The IUPAC name of 2-[5-(3-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine (CID 81128364) is 2-[5-(3-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine.
What is the SMILES notation for 2-[5-(3-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine?
The canonical SMILES for 2-[5-(3-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine is COc1ccsc1-c1nnc(CCN)s1.
What is the InChIKey of 2-[5-(3-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine?
The InChIKey is WVSCKXKMOZRIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3OS2/c1-13-6-3-5-14-8(6)9-12-11-7(15-9)2-4-10/h3,5H,2,4,10H2,1H3.
What are the key properties of 2-[5-(3-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine?
2-[5-(3-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine has a molecular weight of 241.34 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine is sourced from PubChem (CID 81128364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).