2-quinoxalin-6-yl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione

C14H10N4S2 — CID 106481777

IUPAC2-quinoxalin-6-yl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
SMILESS=c1nc(-c2ccc3nccnc3c2)[nH]c2c1CSC2
InChIInChI=1S/C14H10N4S2/c19-14-9-6-20-7-12(9)17-13(18-14)8-1-2-10-11(5-8)16-4-3-15-10/h1-5H,6-7H2,(H,17,18,19)
InChIKeyZCHXGXMERVYUOH-UHFFFAOYSA-N
MW298.40 g/mol
LogP3.50
Rot. Bonds1

About 2-quinoxalin-6-yl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione

2-quinoxalin-6-yl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione (PubChem CID 106481777) has the molecular formula C14H10N4S2 and a molecular weight of 298.40 g/mol. Its IUPAC name is 2-quinoxalin-6-yl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione.

Molecular Properties

Compound Name2-quinoxalin-6-yl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
PubChem CID106481777
Molecular FormulaC14H10N4S2
Molecular Weight298.40 g/mol
Exact Mass298.03
IUPAC Name2-quinoxalin-6-yl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
SMILESS=c1nc(-c2ccc3nccnc3c2)[nH]c2c1CSC2
InChIInChI=1S/C14H10N4S2/c19-14-9-6-20-7-12(9)17-13(18-14)8-1-2-10-11(5-8)16-4-3-15-10/h1-5H,6-7H2,(H,17,18,19)
InChIKeyZCHXGXMERVYUOH-UHFFFAOYSA-N
XLogP3.50
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.40
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-thiophen-3-yl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106481644
2-(4-chloro-2-methoxyphenyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106820090
5-bromo-6-propyl-2-quinoxalin-6-yl-1H-pyrimidine-4-thione
CID 106479479
2-(3,4-dimethoxyphenyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
CID 106477149
2-(3,4-dimethoxyphenyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
CID 106477397
2-[(3,4-dimethylphenyl)methyl]-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106481653
5-bromo-6-cyclopropyl-2-quinolin-6-yl-1H-pyrimidine-4-thione
CID 106480484
2-(3,4-dichlorophenyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
CID 106477135
5-iodo-2-quinoxalin-6-yl-1H-pyrimidin-6-one
CID 66316374
2-(ethoxymethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106481697
2-(thiophen-2-ylmethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106481614
2-pyrrolidin-1-yl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106481534

Frequently Asked Questions

What is the IUPAC name of 2-quinoxalin-6-yl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
The IUPAC name of 2-quinoxalin-6-yl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione (CID 106481777) is 2-quinoxalin-6-yl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione.
What is the SMILES notation for 2-quinoxalin-6-yl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
The canonical SMILES for 2-quinoxalin-6-yl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione is S=c1nc(-c2ccc3nccnc3c2)[nH]c2c1CSC2.
What is the InChIKey of 2-quinoxalin-6-yl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
The InChIKey is ZCHXGXMERVYUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4S2/c19-14-9-6-20-7-12(9)17-13(18-14)8-1-2-10-11(5-8)16-4-3-15-10/h1-5H,6-7H2,(H,17,18,19).
What are the key properties of 2-quinoxalin-6-yl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
2-quinoxalin-6-yl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione has a molecular weight of 298.40 g/mol, XLogP of 3.50, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinoxalin-6-yl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione is sourced from PubChem (CID 106481777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).