6-(5-ethylthiophen-2-yl)quinazolin-4-amine

C14H13N3S — CID 138579635

IUPAC6-(5-ethylthiophen-2-yl)quinazolin-4-amine
SMILESCCc1ccc(-c2ccc3ncnc(N)c3c2)s1
InChIInChI=1S/C14H13N3S/c1-2-10-4-6-13(18-10)9-3-5-12-11(7-9)14(15)17-8-16-12/h3-8H,2H2,1H3,(H2,15,16,17)
InChIKeyIDTUULGQPJRFKH-UHFFFAOYSA-N
MW255.35 g/mol
LogP3.50
Rot. Bonds2

About 6-(5-ethylthiophen-2-yl)quinazolin-4-amine

6-(5-ethylthiophen-2-yl)quinazolin-4-amine (PubChem CID 138579635) has the molecular formula C14H13N3S and a molecular weight of 255.35 g/mol. Its IUPAC name is 6-(5-ethylthiophen-2-yl)quinazolin-4-amine.

Molecular Properties

Compound Name6-(5-ethylthiophen-2-yl)quinazolin-4-amine
PubChem CID138579635
Molecular FormulaC14H13N3S
Molecular Weight255.35 g/mol
Exact Mass255.08
IUPAC Name6-(5-ethylthiophen-2-yl)quinazolin-4-amine
SMILESCCc1ccc(-c2ccc3ncnc(N)c3c2)s1
InChIInChI=1S/C14H13N3S/c1-2-10-4-6-13(18-10)9-3-5-12-11(7-9)14(15)17-8-16-12/h3-8H,2H2,1H3,(H2,15,16,17)
InChIKeyIDTUULGQPJRFKH-UHFFFAOYSA-N
XLogP3.50
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(5-ethylthiophen-2-yl)quinazolin-4-amine?
The IUPAC name of 6-(5-ethylthiophen-2-yl)quinazolin-4-amine (CID 138579635) is 6-(5-ethylthiophen-2-yl)quinazolin-4-amine.
What is the SMILES notation for 6-(5-ethylthiophen-2-yl)quinazolin-4-amine?
The canonical SMILES for 6-(5-ethylthiophen-2-yl)quinazolin-4-amine is CCc1ccc(-c2ccc3ncnc(N)c3c2)s1.
What is the InChIKey of 6-(5-ethylthiophen-2-yl)quinazolin-4-amine?
The InChIKey is IDTUULGQPJRFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3S/c1-2-10-4-6-13(18-10)9-3-5-12-11(7-9)14(15)17-8-16-12/h3-8H,2H2,1H3,(H2,15,16,17).
What are the key properties of 6-(5-ethylthiophen-2-yl)quinazolin-4-amine?
6-(5-ethylthiophen-2-yl)quinazolin-4-amine has a molecular weight of 255.35 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-ethylthiophen-2-yl)quinazolin-4-amine is sourced from PubChem (CID 138579635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).