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

C13H12N4S — CID 118736867

IUPACN-ethyl-6-(1,3-thiazol-5-yl)quinazolin-4-amine
SMILESCCNc1ncnc2ccc(-c3cncs3)cc12
InChIInChI=1S/C13H12N4S/c1-2-15-13-10-5-9(12-6-14-8-18-12)3-4-11(10)16-7-17-13/h3-8H,2H2,1H3,(H,15,16,17)
InChIKeyAMCACEZHPHGRQX-UHFFFAOYSA-N
MW256.33 g/mol
LogP3.19
Rot. Bonds3

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

N-ethyl-6-(1,3-thiazol-5-yl)quinazolin-4-amine (PubChem CID 118736867) has the molecular formula C13H12N4S and a molecular weight of 256.33 g/mol. Its IUPAC name is N-ethyl-6-(1,3-thiazol-5-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-(1,3-thiazol-5-yl)quinazolin-4-amine
PubChem CID118736867
Molecular FormulaC13H12N4S
Molecular Weight256.33 g/mol
Exact Mass256.08
IUPAC NameN-ethyl-6-(1,3-thiazol-5-yl)quinazolin-4-amine
SMILESCCNc1ncnc2ccc(-c3cncs3)cc12
InChIInChI=1S/C13H12N4S/c1-2-15-13-10-5-9(12-6-14-8-18-12)3-4-11(10)16-7-17-13/h3-8H,2H2,1H3,(H,15,16,17)
InChIKeyAMCACEZHPHGRQX-UHFFFAOYSA-N
XLogP3.19
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(1,3-thiazol-5-yl)quinazolin-4-amine?
The IUPAC name of N-ethyl-6-(1,3-thiazol-5-yl)quinazolin-4-amine (CID 118736867) is N-ethyl-6-(1,3-thiazol-5-yl)quinazolin-4-amine.
What is the SMILES notation for N-ethyl-6-(1,3-thiazol-5-yl)quinazolin-4-amine?
The canonical SMILES for N-ethyl-6-(1,3-thiazol-5-yl)quinazolin-4-amine is CCNc1ncnc2ccc(-c3cncs3)cc12.
What is the InChIKey of N-ethyl-6-(1,3-thiazol-5-yl)quinazolin-4-amine?
The InChIKey is AMCACEZHPHGRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4S/c1-2-15-13-10-5-9(12-6-14-8-18-12)3-4-11(10)16-7-17-13/h3-8H,2H2,1H3,(H,15,16,17).
What are the key properties of N-ethyl-6-(1,3-thiazol-5-yl)quinazolin-4-amine?
N-ethyl-6-(1,3-thiazol-5-yl)quinazolin-4-amine has a molecular weight of 256.33 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(1,3-thiazol-5-yl)quinazolin-4-amine is sourced from PubChem (CID 118736867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).