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

C12H12N4OS — CID 71931766

IUPAC(4-methyl-2,3-dihydroquinoxalin-1-yl)-(thiadiazol-4-yl)methanone
SMILESCN1CCN(C(=O)c2csnn2)c2ccccc21
InChIInChI=1S/C12H12N4OS/c1-15-6-7-16(11-5-3-2-4-10(11)15)12(17)9-8-18-14-13-9/h2-5,8H,6-7H2,1H3
InChIKeyIZZBDSNMOAWIIT-UHFFFAOYSA-N
MW260.32 g/mol
LogP1.63
Rot. Bonds1

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

(4-methyl-2,3-dihydroquinoxalin-1-yl)-(thiadiazol-4-yl)methanone (PubChem CID 71931766) has the molecular formula C12H12N4OS and a molecular weight of 260.32 g/mol. Its IUPAC name is (4-methyl-2,3-dihydroquinoxalin-1-yl)-(thiadiazol-4-yl)methanone.

Molecular Properties

Compound Name(4-methyl-2,3-dihydroquinoxalin-1-yl)-(thiadiazol-4-yl)methanone
PubChem CID71931766
Molecular FormulaC12H12N4OS
Molecular Weight260.32 g/mol
Exact Mass260.07
IUPAC Name(4-methyl-2,3-dihydroquinoxalin-1-yl)-(thiadiazol-4-yl)methanone
SMILESCN1CCN(C(=O)c2csnn2)c2ccccc21
InChIInChI=1S/C12H12N4OS/c1-15-6-7-16(11-5-3-2-4-10(11)15)12(17)9-8-18-14-13-9/h2-5,8H,6-7H2,1H3
InChIKeyIZZBDSNMOAWIIT-UHFFFAOYSA-N
XLogP1.63
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-2,3-dihydroquinoxalin-1-yl)-(thiadiazol-4-yl)methanone?
The IUPAC name of (4-methyl-2,3-dihydroquinoxalin-1-yl)-(thiadiazol-4-yl)methanone (CID 71931766) is (4-methyl-2,3-dihydroquinoxalin-1-yl)-(thiadiazol-4-yl)methanone.
What is the SMILES notation for (4-methyl-2,3-dihydroquinoxalin-1-yl)-(thiadiazol-4-yl)methanone?
The canonical SMILES for (4-methyl-2,3-dihydroquinoxalin-1-yl)-(thiadiazol-4-yl)methanone is CN1CCN(C(=O)c2csnn2)c2ccccc21.
What is the InChIKey of (4-methyl-2,3-dihydroquinoxalin-1-yl)-(thiadiazol-4-yl)methanone?
The InChIKey is IZZBDSNMOAWIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4OS/c1-15-6-7-16(11-5-3-2-4-10(11)15)12(17)9-8-18-14-13-9/h2-5,8H,6-7H2,1H3.
What are the key properties of (4-methyl-2,3-dihydroquinoxalin-1-yl)-(thiadiazol-4-yl)methanone?
(4-methyl-2,3-dihydroquinoxalin-1-yl)-(thiadiazol-4-yl)methanone has a molecular weight of 260.32 g/mol, XLogP of 1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2,3-dihydroquinoxalin-1-yl)-(thiadiazol-4-yl)methanone is sourced from PubChem (CID 71931766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).