N-ethyl-1-(5-quinoxalin-5-yl-1,3,4-thiadiazol-2-yl)ethanamine

C14H15N5S — CID 104615841

IUPACN-ethyl-1-(5-quinoxalin-5-yl-1,3,4-thiadiazol-2-yl)ethanamine
SMILESCCNC(C)c1nnc(-c2cccc3nccnc23)s1
InChIInChI=1S/C14H15N5S/c1-3-15-9(2)13-18-19-14(20-13)10-5-4-6-11-12(10)17-8-7-16-11/h4-9,15H,3H2,1-2H3
InChIKeyHATHHHUJEXEIID-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.82
Rot. Bonds4

About N-ethyl-1-(5-quinoxalin-5-yl-1,3,4-thiadiazol-2-yl)ethanamine

N-ethyl-1-(5-quinoxalin-5-yl-1,3,4-thiadiazol-2-yl)ethanamine (PubChem CID 104615841) has the molecular formula C14H15N5S and a molecular weight of 285.38 g/mol. Its IUPAC name is N-ethyl-1-(5-quinoxalin-5-yl-1,3,4-thiadiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(5-quinoxalin-5-yl-1,3,4-thiadiazol-2-yl)ethanamine
PubChem CID104615841
Molecular FormulaC14H15N5S
Molecular Weight285.38 g/mol
Exact Mass285.10
IUPAC NameN-ethyl-1-(5-quinoxalin-5-yl-1,3,4-thiadiazol-2-yl)ethanamine
SMILESCCNC(C)c1nnc(-c2cccc3nccnc23)s1
InChIInChI=1S/C14H15N5S/c1-3-15-9(2)13-18-19-14(20-13)10-5-4-6-11-12(10)17-8-7-16-11/h4-9,15H,3H2,1-2H3
InChIKeyHATHHHUJEXEIID-UHFFFAOYSA-N
XLogP2.82
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(5-quinoxalin-5-yl-1,3,4-thiadiazol-2-yl)ethanamine?
The IUPAC name of N-ethyl-1-(5-quinoxalin-5-yl-1,3,4-thiadiazol-2-yl)ethanamine (CID 104615841) is N-ethyl-1-(5-quinoxalin-5-yl-1,3,4-thiadiazol-2-yl)ethanamine.
What is the SMILES notation for N-ethyl-1-(5-quinoxalin-5-yl-1,3,4-thiadiazol-2-yl)ethanamine?
The canonical SMILES for N-ethyl-1-(5-quinoxalin-5-yl-1,3,4-thiadiazol-2-yl)ethanamine is CCNC(C)c1nnc(-c2cccc3nccnc23)s1.
What is the InChIKey of N-ethyl-1-(5-quinoxalin-5-yl-1,3,4-thiadiazol-2-yl)ethanamine?
The InChIKey is HATHHHUJEXEIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5S/c1-3-15-9(2)13-18-19-14(20-13)10-5-4-6-11-12(10)17-8-7-16-11/h4-9,15H,3H2,1-2H3.
What are the key properties of N-ethyl-1-(5-quinoxalin-5-yl-1,3,4-thiadiazol-2-yl)ethanamine?
N-ethyl-1-(5-quinoxalin-5-yl-1,3,4-thiadiazol-2-yl)ethanamine has a molecular weight of 285.38 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(5-quinoxalin-5-yl-1,3,4-thiadiazol-2-yl)ethanamine is sourced from PubChem (CID 104615841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).