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

C17H10ClFN4S — CID 118736890

IUPACN-(3-chloro-4-fluorophenyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine
SMILESFc1ccc(Nc2ncnc3ccc(-c4cncs4)cc23)cc1Cl
InChIInChI=1S/C17H10ClFN4S/c18-13-6-11(2-3-14(13)19)23-17-12-5-10(16-7-20-9-24-16)1-4-15(12)21-8-22-17/h1-9H,(H,21,22,23)
InChIKeyQMUKXFROXCOBER-UHFFFAOYSA-N
MW356.81 g/mol
LogP5.29
Rot. Bonds3

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

N-(3-chloro-4-fluorophenyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine (PubChem CID 118736890) has the molecular formula C17H10ClFN4S and a molecular weight of 356.81 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine
PubChem CID118736890
Molecular FormulaC17H10ClFN4S
Molecular Weight356.81 g/mol
Exact Mass356.03
IUPAC NameN-(3-chloro-4-fluorophenyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine
SMILESFc1ccc(Nc2ncnc3ccc(-c4cncs4)cc23)cc1Cl
InChIInChI=1S/C17H10ClFN4S/c18-13-6-11(2-3-14(13)19)23-17-12-5-10(16-7-20-9-24-16)1-4-15(12)21-8-22-17/h1-9H,(H,21,22,23)
InChIKeyQMUKXFROXCOBER-UHFFFAOYSA-N
XLogP5.29
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.81
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine (CID 118736890) is N-(3-chloro-4-fluorophenyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine is Fc1ccc(Nc2ncnc3ccc(-c4cncs4)cc23)cc1Cl.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine?
The InChIKey is QMUKXFROXCOBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClFN4S/c18-13-6-11(2-3-14(13)19)23-17-12-5-10(16-7-20-9-24-16)1-4-15(12)21-8-22-17/h1-9H,(H,21,22,23).
What are the key properties of N-(3-chloro-4-fluorophenyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine?
N-(3-chloro-4-fluorophenyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine has a molecular weight of 356.81 g/mol, XLogP of 5.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine is sourced from PubChem (CID 118736890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).