N-(4-fluorophenyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine

C17H11FN4S — CID 118736894

IUPACN-(4-fluorophenyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine
SMILESFc1ccc(Nc2ncnc3ccc(-c4cncs4)cc23)cc1
InChIInChI=1S/C17H11FN4S/c18-12-2-4-13(5-3-12)22-17-14-7-11(16-8-19-10-23-16)1-6-15(14)20-9-21-17/h1-10H,(H,20,21,22)
InChIKeyDZNPBSFQHHTVEI-UHFFFAOYSA-N
MW322.37 g/mol
LogP4.64
Rot. Bonds3

About N-(4-fluorophenyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine

N-(4-fluorophenyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine (PubChem CID 118736894) has the molecular formula C17H11FN4S and a molecular weight of 322.37 g/mol. Its IUPAC name is N-(4-fluorophenyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine
PubChem CID118736894
Molecular FormulaC17H11FN4S
Molecular Weight322.37 g/mol
Exact Mass322.07
IUPAC NameN-(4-fluorophenyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine
SMILESFc1ccc(Nc2ncnc3ccc(-c4cncs4)cc23)cc1
InChIInChI=1S/C17H11FN4S/c18-12-2-4-13(5-3-12)22-17-14-7-11(16-8-19-10-23-16)1-6-15(14)20-9-21-17/h1-10H,(H,20,21,22)
InChIKeyDZNPBSFQHHTVEI-UHFFFAOYSA-N
XLogP4.64
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine?
The IUPAC name of N-(4-fluorophenyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine (CID 118736894) is N-(4-fluorophenyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine.
What is the SMILES notation for N-(4-fluorophenyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine?
The canonical SMILES for N-(4-fluorophenyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine is Fc1ccc(Nc2ncnc3ccc(-c4cncs4)cc23)cc1.
What is the InChIKey of N-(4-fluorophenyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine?
The InChIKey is DZNPBSFQHHTVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN4S/c18-12-2-4-13(5-3-12)22-17-14-7-11(16-8-19-10-23-16)1-6-15(14)20-9-21-17/h1-10H,(H,20,21,22).
What are the key properties of N-(4-fluorophenyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine?
N-(4-fluorophenyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine has a molecular weight of 322.37 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine is sourced from PubChem (CID 118736894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).