N-[2-[2-(3-fluorophenoxy)-1,3-thiazol-4-yl]ethyl]quinazolin-4-amine

C19H15FN4OS — CID 67890761

IUPACN-[2-[2-(3-fluorophenoxy)-1,3-thiazol-4-yl]ethyl]quinazolin-4-amine
SMILESFc1cccc(Oc2nc(CCNc3ncnc4ccccc34)cs2)c1
InChIInChI=1S/C19H15FN4OS/c20-13-4-3-5-15(10-13)25-19-24-14(11-26-19)8-9-21-18-16-6-1-2-7-17(16)22-12-23-18/h1-7,10-12H,8-9H2,(H,21,22,23)
InChIKeyVMGAVFSUFBHDHZ-UHFFFAOYSA-N
MW366.42 g/mol
LogP4.67
Rot. Bonds6

About N-[2-[2-(3-fluorophenoxy)-1,3-thiazol-4-yl]ethyl]quinazolin-4-amine

N-[2-[2-(3-fluorophenoxy)-1,3-thiazol-4-yl]ethyl]quinazolin-4-amine (PubChem CID 67890761) has the molecular formula C19H15FN4OS and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[2-[2-(3-fluorophenoxy)-1,3-thiazol-4-yl]ethyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-[2-[2-(3-fluorophenoxy)-1,3-thiazol-4-yl]ethyl]quinazolin-4-amine
PubChem CID67890761
Molecular FormulaC19H15FN4OS
Molecular Weight366.42 g/mol
Exact Mass366.10
IUPAC NameN-[2-[2-(3-fluorophenoxy)-1,3-thiazol-4-yl]ethyl]quinazolin-4-amine
SMILESFc1cccc(Oc2nc(CCNc3ncnc4ccccc34)cs2)c1
InChIInChI=1S/C19H15FN4OS/c20-13-4-3-5-15(10-13)25-19-24-14(11-26-19)8-9-21-18-16-6-1-2-7-17(16)22-12-23-18/h1-7,10-12H,8-9H2,(H,21,22,23)
InChIKeyVMGAVFSUFBHDHZ-UHFFFAOYSA-N
XLogP4.67
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-[2-(3-fluorophenoxy)-1,3-thiazol-4-yl]ethyl]quinazolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-fluorophenoxy)-1,3-thiazol-4-yl]ethyl]quinazolin-4-amine?
The IUPAC name of N-[2-[2-(3-fluorophenoxy)-1,3-thiazol-4-yl]ethyl]quinazolin-4-amine (CID 67890761) is N-[2-[2-(3-fluorophenoxy)-1,3-thiazol-4-yl]ethyl]quinazolin-4-amine.
What is the SMILES notation for N-[2-[2-(3-fluorophenoxy)-1,3-thiazol-4-yl]ethyl]quinazolin-4-amine?
The canonical SMILES for N-[2-[2-(3-fluorophenoxy)-1,3-thiazol-4-yl]ethyl]quinazolin-4-amine is Fc1cccc(Oc2nc(CCNc3ncnc4ccccc34)cs2)c1.
What is the InChIKey of N-[2-[2-(3-fluorophenoxy)-1,3-thiazol-4-yl]ethyl]quinazolin-4-amine?
The InChIKey is VMGAVFSUFBHDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4OS/c20-13-4-3-5-15(10-13)25-19-24-14(11-26-19)8-9-21-18-16-6-1-2-7-17(16)22-12-23-18/h1-7,10-12H,8-9H2,(H,21,22,23).
What are the key properties of N-[2-[2-(3-fluorophenoxy)-1,3-thiazol-4-yl]ethyl]quinazolin-4-amine?
N-[2-[2-(3-fluorophenoxy)-1,3-thiazol-4-yl]ethyl]quinazolin-4-amine has a molecular weight of 366.42 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-fluorophenoxy)-1,3-thiazol-4-yl]ethyl]quinazolin-4-amine is sourced from PubChem (CID 67890761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).