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

C17H12N4S — CID 118736889

IUPACN-phenyl-6-(1,3-thiazol-5-yl)quinazolin-4-amine
SMILESc1ccc(Nc2ncnc3ccc(-c4cncs4)cc23)cc1
InChIInChI=1S/C17H12N4S/c1-2-4-13(5-3-1)21-17-14-8-12(16-9-18-11-22-16)6-7-15(14)19-10-20-17/h1-11H,(H,19,20,21)
InChIKeyQTPNZZJIUZTFRK-UHFFFAOYSA-N
MW304.38 g/mol
LogP4.50
Rot. Bonds3

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

N-phenyl-6-(1,3-thiazol-5-yl)quinazolin-4-amine (PubChem CID 118736889) has the molecular formula C17H12N4S and a molecular weight of 304.38 g/mol. Its IUPAC name is N-phenyl-6-(1,3-thiazol-5-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN-phenyl-6-(1,3-thiazol-5-yl)quinazolin-4-amine
PubChem CID118736889
Molecular FormulaC17H12N4S
Molecular Weight304.38 g/mol
Exact Mass304.08
IUPAC NameN-phenyl-6-(1,3-thiazol-5-yl)quinazolin-4-amine
SMILESc1ccc(Nc2ncnc3ccc(-c4cncs4)cc23)cc1
InChIInChI=1S/C17H12N4S/c1-2-4-13(5-3-1)21-17-14-8-12(16-9-18-11-22-16)6-7-15(14)19-10-20-17/h1-11H,(H,19,20,21)
InChIKeyQTPNZZJIUZTFRK-UHFFFAOYSA-N
XLogP4.50
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-6-(1,3-thiazol-5-yl)quinazolin-4-amine?
The IUPAC name of N-phenyl-6-(1,3-thiazol-5-yl)quinazolin-4-amine (CID 118736889) is N-phenyl-6-(1,3-thiazol-5-yl)quinazolin-4-amine.
What is the SMILES notation for N-phenyl-6-(1,3-thiazol-5-yl)quinazolin-4-amine?
The canonical SMILES for N-phenyl-6-(1,3-thiazol-5-yl)quinazolin-4-amine is c1ccc(Nc2ncnc3ccc(-c4cncs4)cc23)cc1.
What is the InChIKey of N-phenyl-6-(1,3-thiazol-5-yl)quinazolin-4-amine?
The InChIKey is QTPNZZJIUZTFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4S/c1-2-4-13(5-3-1)21-17-14-8-12(16-9-18-11-22-16)6-7-15(14)19-10-20-17/h1-11H,(H,19,20,21).
What are the key properties of N-phenyl-6-(1,3-thiazol-5-yl)quinazolin-4-amine?
N-phenyl-6-(1,3-thiazol-5-yl)quinazolin-4-amine has a molecular weight of 304.38 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-6-(1,3-thiazol-5-yl)quinazolin-4-amine is sourced from PubChem (CID 118736889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).