2-quinazolin-4-ylsulfanyl-1-thiophen-2-ylethanone

C14H10N2OS2 — CID 4882470

IUPAC2-quinazolin-4-ylsulfanyl-1-thiophen-2-ylethanone
SMILESO=C(CSc1ncnc2ccccc12)c1cccs1
InChIInChI=1S/C14H10N2OS2/c17-12(13-6-3-7-18-13)8-19-14-10-4-1-2-5-11(10)15-9-16-14/h1-7,9H,8H2
InChIKeyXAOCYKOKAORRRU-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.67
Rot. Bonds4

About 2-quinazolin-4-ylsulfanyl-1-thiophen-2-ylethanone

2-quinazolin-4-ylsulfanyl-1-thiophen-2-ylethanone (PubChem CID 4882470) has the molecular formula C14H10N2OS2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-quinazolin-4-ylsulfanyl-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-quinazolin-4-ylsulfanyl-1-thiophen-2-ylethanone
PubChem CID4882470
Molecular FormulaC14H10N2OS2
Molecular Weight286.38 g/mol
Exact Mass286.02
IUPAC Name2-quinazolin-4-ylsulfanyl-1-thiophen-2-ylethanone
SMILESO=C(CSc1ncnc2ccccc12)c1cccs1
InChIInChI=1S/C14H10N2OS2/c17-12(13-6-3-7-18-13)8-19-14-10-4-1-2-5-11(10)15-9-16-14/h1-7,9H,8H2
InChIKeyXAOCYKOKAORRRU-UHFFFAOYSA-N
XLogP3.67
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-quinazolin-4-ylsulfanyl-1-thiophen-2-ylethanone?
The IUPAC name of 2-quinazolin-4-ylsulfanyl-1-thiophen-2-ylethanone (CID 4882470) is 2-quinazolin-4-ylsulfanyl-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-quinazolin-4-ylsulfanyl-1-thiophen-2-ylethanone?
The canonical SMILES for 2-quinazolin-4-ylsulfanyl-1-thiophen-2-ylethanone is O=C(CSc1ncnc2ccccc12)c1cccs1.
What is the InChIKey of 2-quinazolin-4-ylsulfanyl-1-thiophen-2-ylethanone?
The InChIKey is XAOCYKOKAORRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2OS2/c17-12(13-6-3-7-18-13)8-19-14-10-4-1-2-5-11(10)15-9-16-14/h1-7,9H,8H2.
What are the key properties of 2-quinazolin-4-ylsulfanyl-1-thiophen-2-ylethanone?
2-quinazolin-4-ylsulfanyl-1-thiophen-2-ylethanone has a molecular weight of 286.38 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinazolin-4-ylsulfanyl-1-thiophen-2-ylethanone is sourced from PubChem (CID 4882470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).