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

C16H16N4OS — CID 118736916

IUPACN-(oxan-4-yl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine
SMILESc1nc(NC2CCOCC2)c2cc(-c3cncs3)ccc2n1
InChIInChI=1S/C16H16N4OS/c1-2-14-13(7-11(1)15-8-17-10-22-15)16(19-9-18-14)20-12-3-5-21-6-4-12/h1-2,7-10,12H,3-6H2,(H,18,19,20)
InChIKeyODGOHANETZJRIS-UHFFFAOYSA-N
MW312.40 g/mol
LogP3.34
Rot. Bonds3

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

N-(oxan-4-yl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine (PubChem CID 118736916) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is N-(oxan-4-yl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(oxan-4-yl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine
PubChem CID118736916
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC NameN-(oxan-4-yl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine
SMILESc1nc(NC2CCOCC2)c2cc(-c3cncs3)ccc2n1
InChIInChI=1S/C16H16N4OS/c1-2-14-13(7-11(1)15-8-17-10-22-15)16(19-9-18-14)20-12-3-5-21-6-4-12/h1-2,7-10,12H,3-6H2,(H,18,19,20)
InChIKeyODGOHANETZJRIS-UHFFFAOYSA-N
XLogP3.34
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methylphenyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine
CID 118736897
N-(2-fluorophenyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine
CID 118736896
N-pyridin-3-yl-6-(1,3-thiazol-5-yl)quinazolin-4-amine
CID 118736909
N-(3-chlorophenyl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine
CID 118736892
N-cyclopropyl-6-[3-(morpholin-4-ylmethyl)phenyl]quinazolin-4-amine
CID 68944579
6-(2-methyl-1H-imidazol-5-yl)-N-(4-morpholin-4-ylcyclohexyl)quinazolin-4-amine
CID 130446838
N-cyclohexyl-6-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]quinazolin-4-amine
CID 69186801
6-chloro-N-cyclopropylquinazolin-4-amine
CID 13231191
N-cyclopropyl-6-(2,5-dimethylphenyl)quinazolin-4-amine
CID 91256462
6-chloro-N-cyclobutylquinazolin-4-amine
CID 13231187
N-cyclopropyl-6-[3-[1-(cyclopropylamino)ethyl]phenyl]quinazolin-4-amine
CID 68946542
5-[4-(cyclopropylamino)quinazolin-6-yl]-2-fluorobenzaldehyde
CID 57435174

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine?
The IUPAC name of N-(oxan-4-yl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine (CID 118736916) is N-(oxan-4-yl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine.
What is the SMILES notation for N-(oxan-4-yl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine?
The canonical SMILES for N-(oxan-4-yl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine is c1nc(NC2CCOCC2)c2cc(-c3cncs3)ccc2n1.
What is the InChIKey of N-(oxan-4-yl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine?
The InChIKey is ODGOHANETZJRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS/c1-2-14-13(7-11(1)15-8-17-10-22-15)16(19-9-18-14)20-12-3-5-21-6-4-12/h1-2,7-10,12H,3-6H2,(H,18,19,20).
What are the key properties of N-(oxan-4-yl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine?
N-(oxan-4-yl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine has a molecular weight of 312.40 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine is sourced from PubChem (CID 118736916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).