(4-ethyl-2,3-dihydroquinoxalin-1-yl)-(thiadiazol-4-yl)methanone

C13H14N4OS — CID 71931767

IUPAC(4-ethyl-2,3-dihydroquinoxalin-1-yl)-(thiadiazol-4-yl)methanone
SMILESCCN1CCN(C(=O)c2csnn2)c2ccccc21
InChIInChI=1S/C13H14N4OS/c1-2-16-7-8-17(12-6-4-3-5-11(12)16)13(18)10-9-19-15-14-10/h3-6,9H,2,7-8H2,1H3
InChIKeyQVBWQVDGOJURPX-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.02
Rot. Bonds2

About (4-ethyl-2,3-dihydroquinoxalin-1-yl)-(thiadiazol-4-yl)methanone

(4-ethyl-2,3-dihydroquinoxalin-1-yl)-(thiadiazol-4-yl)methanone (PubChem CID 71931767) has the molecular formula C13H14N4OS and a molecular weight of 274.35 g/mol. Its IUPAC name is (4-ethyl-2,3-dihydroquinoxalin-1-yl)-(thiadiazol-4-yl)methanone.

Molecular Properties

Compound Name(4-ethyl-2,3-dihydroquinoxalin-1-yl)-(thiadiazol-4-yl)methanone
PubChem CID71931767
Molecular FormulaC13H14N4OS
Molecular Weight274.35 g/mol
Exact Mass274.09
IUPAC Name(4-ethyl-2,3-dihydroquinoxalin-1-yl)-(thiadiazol-4-yl)methanone
SMILESCCN1CCN(C(=O)c2csnn2)c2ccccc21
InChIInChI=1S/C13H14N4OS/c1-2-16-7-8-17(12-6-4-3-5-11(12)16)13(18)10-9-19-15-14-10/h3-6,9H,2,7-8H2,1H3
InChIKeyQVBWQVDGOJURPX-UHFFFAOYSA-N
XLogP2.02
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-ethyl-2,3-dihydroquinoxalin-1-yl)-(thiadiazol-4-yl)methanone?
The IUPAC name of (4-ethyl-2,3-dihydroquinoxalin-1-yl)-(thiadiazol-4-yl)methanone (CID 71931767) is (4-ethyl-2,3-dihydroquinoxalin-1-yl)-(thiadiazol-4-yl)methanone.
What is the SMILES notation for (4-ethyl-2,3-dihydroquinoxalin-1-yl)-(thiadiazol-4-yl)methanone?
The canonical SMILES for (4-ethyl-2,3-dihydroquinoxalin-1-yl)-(thiadiazol-4-yl)methanone is CCN1CCN(C(=O)c2csnn2)c2ccccc21.
What is the InChIKey of (4-ethyl-2,3-dihydroquinoxalin-1-yl)-(thiadiazol-4-yl)methanone?
The InChIKey is QVBWQVDGOJURPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4OS/c1-2-16-7-8-17(12-6-4-3-5-11(12)16)13(18)10-9-19-15-14-10/h3-6,9H,2,7-8H2,1H3.
What are the key properties of (4-ethyl-2,3-dihydroquinoxalin-1-yl)-(thiadiazol-4-yl)methanone?
(4-ethyl-2,3-dihydroquinoxalin-1-yl)-(thiadiazol-4-yl)methanone has a molecular weight of 274.35 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-2,3-dihydroquinoxalin-1-yl)-(thiadiazol-4-yl)methanone is sourced from PubChem (CID 71931767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).