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

C11H15N3OS2 — CID 81128126

IUPACN-ethyl-2-[5-(3-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine
SMILESCCNCCc1nnc(-c2sccc2OC)s1
InChIInChI=1S/C11H15N3OS2/c1-3-12-6-4-9-13-14-11(17-9)10-8(15-2)5-7-16-10/h5,7,12H,3-4,6H2,1-2H3
InChIKeyWJBNWENKXHHOKO-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.43
Rot. Bonds6

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

N-ethyl-2-[5-(3-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine (PubChem CID 81128126) has the molecular formula C11H15N3OS2 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-ethyl-2-[5-(3-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[5-(3-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine
PubChem CID81128126
Molecular FormulaC11H15N3OS2
Molecular Weight269.39 g/mol
Exact Mass269.07
IUPAC NameN-ethyl-2-[5-(3-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine
SMILESCCNCCc1nnc(-c2sccc2OC)s1
InChIInChI=1S/C11H15N3OS2/c1-3-12-6-4-9-13-14-11(17-9)10-8(15-2)5-7-16-10/h5,7,12H,3-4,6H2,1-2H3
InChIKeyWJBNWENKXHHOKO-UHFFFAOYSA-N
XLogP2.43
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.43
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-ethyl-2-[5-(3-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine?
The IUPAC name of N-ethyl-2-[5-(3-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine (CID 81128126) is N-ethyl-2-[5-(3-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine.
What is the SMILES notation for N-ethyl-2-[5-(3-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine?
The canonical SMILES for N-ethyl-2-[5-(3-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine is CCNCCc1nnc(-c2sccc2OC)s1.
What is the InChIKey of N-ethyl-2-[5-(3-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine?
The InChIKey is WJBNWENKXHHOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS2/c1-3-12-6-4-9-13-14-11(17-9)10-8(15-2)5-7-16-10/h5,7,12H,3-4,6H2,1-2H3.
What are the key properties of N-ethyl-2-[5-(3-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine?
N-ethyl-2-[5-(3-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine has a molecular weight of 269.39 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[5-(3-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine is sourced from PubChem (CID 81128126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).