4-ethylsulfanyl-2-thiophen-2-ylquinazoline

C14H12N2S2 — CID 2570683

IUPAC4-ethylsulfanyl-2-thiophen-2-ylquinazoline
SMILESCCSc1nc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C14H12N2S2/c1-2-17-14-10-6-3-4-7-11(10)15-13(16-14)12-8-5-9-18-12/h3-9H,2H2,1H3
InChIKeyQMRYDOMXODZXHP-UHFFFAOYSA-N
MW272.40 g/mol
LogP4.47
Rot. Bonds3

About 4-ethylsulfanyl-2-thiophen-2-ylquinazoline

4-ethylsulfanyl-2-thiophen-2-ylquinazoline (PubChem CID 2570683) has the molecular formula C14H12N2S2 and a molecular weight of 272.40 g/mol. Its IUPAC name is 4-ethylsulfanyl-2-thiophen-2-ylquinazoline.

Molecular Properties

Compound Name4-ethylsulfanyl-2-thiophen-2-ylquinazoline
PubChem CID2570683
Molecular FormulaC14H12N2S2
Molecular Weight272.40 g/mol
Exact Mass272.04
IUPAC Name4-ethylsulfanyl-2-thiophen-2-ylquinazoline
SMILESCCSc1nc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C14H12N2S2/c1-2-17-14-10-6-3-4-7-11(10)15-13(16-14)12-8-5-9-18-12/h3-9H,2H2,1H3
InChIKeyQMRYDOMXODZXHP-UHFFFAOYSA-N
XLogP4.47
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfanyl-2-thiophen-2-ylquinazoline?
The IUPAC name of 4-ethylsulfanyl-2-thiophen-2-ylquinazoline (CID 2570683) is 4-ethylsulfanyl-2-thiophen-2-ylquinazoline.
What is the SMILES notation for 4-ethylsulfanyl-2-thiophen-2-ylquinazoline?
The canonical SMILES for 4-ethylsulfanyl-2-thiophen-2-ylquinazoline is CCSc1nc(-c2cccs2)nc2ccccc12.
What is the InChIKey of 4-ethylsulfanyl-2-thiophen-2-ylquinazoline?
The InChIKey is QMRYDOMXODZXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2S2/c1-2-17-14-10-6-3-4-7-11(10)15-13(16-14)12-8-5-9-18-12/h3-9H,2H2,1H3.
What are the key properties of 4-ethylsulfanyl-2-thiophen-2-ylquinazoline?
4-ethylsulfanyl-2-thiophen-2-ylquinazoline has a molecular weight of 272.40 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfanyl-2-thiophen-2-ylquinazoline is sourced from PubChem (CID 2570683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).