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

C10H13N3OS2 — CID 81128251

IUPACN-[[5-(3-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
SMILESCCNCc1nnc(-c2sccc2OC)s1
InChIInChI=1S/C10H13N3OS2/c1-3-11-6-8-12-13-10(16-8)9-7(14-2)4-5-15-9/h4-5,11H,3,6H2,1-2H3
InChIKeyBYJATISULRBKPQ-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.38
Rot. Bonds5

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

N-[[5-(3-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine (PubChem CID 81128251) has the molecular formula C10H13N3OS2 and a molecular weight of 255.37 g/mol. Its IUPAC name is N-[[5-(3-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(3-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
PubChem CID81128251
Molecular FormulaC10H13N3OS2
Molecular Weight255.37 g/mol
Exact Mass255.05
IUPAC NameN-[[5-(3-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
SMILESCCNCc1nnc(-c2sccc2OC)s1
InChIInChI=1S/C10H13N3OS2/c1-3-11-6-8-12-13-10(16-8)9-7(14-2)4-5-15-9/h4-5,11H,3,6H2,1-2H3
InChIKeyBYJATISULRBKPQ-UHFFFAOYSA-N
XLogP2.38
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(3-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine (CID 81128251) is N-[[5-(3-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(3-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(3-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine is CCNCc1nnc(-c2sccc2OC)s1.
What is the InChIKey of N-[[5-(3-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine?
The InChIKey is BYJATISULRBKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS2/c1-3-11-6-8-12-13-10(16-8)9-7(14-2)4-5-15-9/h4-5,11H,3,6H2,1-2H3.
What are the key properties of N-[[5-(3-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine?
N-[[5-(3-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine has a molecular weight of 255.37 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-methoxythiophen-2-yl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 81128251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).