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

C20H13N5OS — CID 118736905

IUPACN-[4-(1,3-oxazol-5-yl)phenyl]-6-(1,3-thiazol-5-yl)quinazolin-4-amine
SMILESc1nc(Nc2ccc(-c3cnco3)cc2)c2cc(-c3cncs3)ccc2n1
InChIInChI=1S/C20H13N5OS/c1-4-15(5-2-13(1)18-8-21-11-26-18)25-20-16-7-14(19-9-22-12-27-19)3-6-17(16)23-10-24-20/h1-12H,(H,23,24,25)
InChIKeyIDGSKYUWGRYWPT-UHFFFAOYSA-N
MW371.43 g/mol
LogP5.15
Rot. Bonds4

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

N-[4-(1,3-oxazol-5-yl)phenyl]-6-(1,3-thiazol-5-yl)quinazolin-4-amine (PubChem CID 118736905) has the molecular formula C20H13N5OS and a molecular weight of 371.43 g/mol. Its IUPAC name is N-[4-(1,3-oxazol-5-yl)phenyl]-6-(1,3-thiazol-5-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN-[4-(1,3-oxazol-5-yl)phenyl]-6-(1,3-thiazol-5-yl)quinazolin-4-amine
PubChem CID118736905
Molecular FormulaC20H13N5OS
Molecular Weight371.43 g/mol
Exact Mass371.08
IUPAC NameN-[4-(1,3-oxazol-5-yl)phenyl]-6-(1,3-thiazol-5-yl)quinazolin-4-amine
SMILESc1nc(Nc2ccc(-c3cnco3)cc2)c2cc(-c3cncs3)ccc2n1
InChIInChI=1S/C20H13N5OS/c1-4-15(5-2-13(1)18-8-21-11-26-18)25-20-16-7-14(19-9-22-12-27-19)3-6-17(16)23-10-24-20/h1-12H,(H,23,24,25)
InChIKeyIDGSKYUWGRYWPT-UHFFFAOYSA-N
XLogP5.15
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.43
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-oxazol-5-yl)phenyl]-6-(1,3-thiazol-5-yl)quinazolin-4-amine?
The IUPAC name of N-[4-(1,3-oxazol-5-yl)phenyl]-6-(1,3-thiazol-5-yl)quinazolin-4-amine (CID 118736905) is N-[4-(1,3-oxazol-5-yl)phenyl]-6-(1,3-thiazol-5-yl)quinazolin-4-amine.
What is the SMILES notation for N-[4-(1,3-oxazol-5-yl)phenyl]-6-(1,3-thiazol-5-yl)quinazolin-4-amine?
The canonical SMILES for N-[4-(1,3-oxazol-5-yl)phenyl]-6-(1,3-thiazol-5-yl)quinazolin-4-amine is c1nc(Nc2ccc(-c3cnco3)cc2)c2cc(-c3cncs3)ccc2n1.
What is the InChIKey of N-[4-(1,3-oxazol-5-yl)phenyl]-6-(1,3-thiazol-5-yl)quinazolin-4-amine?
The InChIKey is IDGSKYUWGRYWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N5OS/c1-4-15(5-2-13(1)18-8-21-11-26-18)25-20-16-7-14(19-9-22-12-27-19)3-6-17(16)23-10-24-20/h1-12H,(H,23,24,25).
What are the key properties of N-[4-(1,3-oxazol-5-yl)phenyl]-6-(1,3-thiazol-5-yl)quinazolin-4-amine?
N-[4-(1,3-oxazol-5-yl)phenyl]-6-(1,3-thiazol-5-yl)quinazolin-4-amine has a molecular weight of 371.43 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-oxazol-5-yl)phenyl]-6-(1,3-thiazol-5-yl)quinazolin-4-amine is sourced from PubChem (CID 118736905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).