5-fluoro-2-thiophen-2-yl-1,2-dihydroquinazolin-4-amine

C12H10FN3S — CID 21192814

IUPAC5-fluoro-2-thiophen-2-yl-1,2-dihydroquinazolin-4-amine
SMILESNC1=NC(c2cccs2)Nc2cccc(F)c21
InChIInChI=1S/C12H10FN3S/c13-7-3-1-4-8-10(7)11(14)16-12(15-8)9-5-2-6-17-9/h1-6,12,15H,(H2,14,16)
InChIKeyOGKZGPSVQKXXOY-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.72
Rot. Bonds1

About 5-fluoro-2-thiophen-2-yl-1,2-dihydroquinazolin-4-amine

5-fluoro-2-thiophen-2-yl-1,2-dihydroquinazolin-4-amine (PubChem CID 21192814) has the molecular formula C12H10FN3S and a molecular weight of 247.30 g/mol. Its IUPAC name is 5-fluoro-2-thiophen-2-yl-1,2-dihydroquinazolin-4-amine.

Molecular Properties

Compound Name5-fluoro-2-thiophen-2-yl-1,2-dihydroquinazolin-4-amine
PubChem CID21192814
Molecular FormulaC12H10FN3S
Molecular Weight247.30 g/mol
Exact Mass247.06
IUPAC Name5-fluoro-2-thiophen-2-yl-1,2-dihydroquinazolin-4-amine
SMILESNC1=NC(c2cccs2)Nc2cccc(F)c21
InChIInChI=1S/C12H10FN3S/c13-7-3-1-4-8-10(7)11(14)16-12(15-8)9-5-2-6-17-9/h1-6,12,15H,(H2,14,16)
InChIKeyOGKZGPSVQKXXOY-UHFFFAOYSA-N
XLogP2.72
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-thiophen-2-yl-1,2-dihydroquinazolin-4-amine?
The IUPAC name of 5-fluoro-2-thiophen-2-yl-1,2-dihydroquinazolin-4-amine (CID 21192814) is 5-fluoro-2-thiophen-2-yl-1,2-dihydroquinazolin-4-amine.
What is the SMILES notation for 5-fluoro-2-thiophen-2-yl-1,2-dihydroquinazolin-4-amine?
The canonical SMILES for 5-fluoro-2-thiophen-2-yl-1,2-dihydroquinazolin-4-amine is NC1=NC(c2cccs2)Nc2cccc(F)c21.
What is the InChIKey of 5-fluoro-2-thiophen-2-yl-1,2-dihydroquinazolin-4-amine?
The InChIKey is OGKZGPSVQKXXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3S/c13-7-3-1-4-8-10(7)11(14)16-12(15-8)9-5-2-6-17-9/h1-6,12,15H,(H2,14,16).
What are the key properties of 5-fluoro-2-thiophen-2-yl-1,2-dihydroquinazolin-4-amine?
5-fluoro-2-thiophen-2-yl-1,2-dihydroquinazolin-4-amine has a molecular weight of 247.30 g/mol, XLogP of 2.72, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-thiophen-2-yl-1,2-dihydroquinazolin-4-amine is sourced from PubChem (CID 21192814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).