N-[6-(4-fluorophenoxy)quinazolin-4-yl]-4-methyl-1,3-thiazol-2-amine

C18H13FN4OS — CID 45483615

IUPACN-[6-(4-fluorophenoxy)quinazolin-4-yl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(Nc2ncnc3ccc(Oc4ccc(F)cc4)cc23)n1
InChIInChI=1S/C18H13FN4OS/c1-11-9-25-18(22-11)23-17-15-8-14(6-7-16(15)20-10-21-17)24-13-4-2-12(19)3-5-13/h2-10H,1H3,(H,20,21,22,23)
InChIKeyGXRVZYKFJKLQIF-UHFFFAOYSA-N
MW352.39 g/mol
LogP5.07
Rot. Bonds4

About N-[6-(4-fluorophenoxy)quinazolin-4-yl]-4-methyl-1,3-thiazol-2-amine

N-[6-(4-fluorophenoxy)quinazolin-4-yl]-4-methyl-1,3-thiazol-2-amine (PubChem CID 45483615) has the molecular formula C18H13FN4OS and a molecular weight of 352.39 g/mol. Its IUPAC name is N-[6-(4-fluorophenoxy)quinazolin-4-yl]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[6-(4-fluorophenoxy)quinazolin-4-yl]-4-methyl-1,3-thiazol-2-amine
PubChem CID45483615
Molecular FormulaC18H13FN4OS
Molecular Weight352.39 g/mol
Exact Mass352.08
IUPAC NameN-[6-(4-fluorophenoxy)quinazolin-4-yl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(Nc2ncnc3ccc(Oc4ccc(F)cc4)cc23)n1
InChIInChI=1S/C18H13FN4OS/c1-11-9-25-18(22-11)23-17-15-8-14(6-7-16(15)20-10-21-17)24-13-4-2-12(19)3-5-13/h2-10H,1H3,(H,20,21,22,23)
InChIKeyGXRVZYKFJKLQIF-UHFFFAOYSA-N
XLogP5.07
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.39
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-fluorophenoxy)quinazolin-4-yl]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[6-(4-fluorophenoxy)quinazolin-4-yl]-4-methyl-1,3-thiazol-2-amine (CID 45483615) is N-[6-(4-fluorophenoxy)quinazolin-4-yl]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[6-(4-fluorophenoxy)quinazolin-4-yl]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[6-(4-fluorophenoxy)quinazolin-4-yl]-4-methyl-1,3-thiazol-2-amine is Cc1csc(Nc2ncnc3ccc(Oc4ccc(F)cc4)cc23)n1.
What is the InChIKey of N-[6-(4-fluorophenoxy)quinazolin-4-yl]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is GXRVZYKFJKLQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4OS/c1-11-9-25-18(22-11)23-17-15-8-14(6-7-16(15)20-10-21-17)24-13-4-2-12(19)3-5-13/h2-10H,1H3,(H,20,21,22,23).
What are the key properties of N-[6-(4-fluorophenoxy)quinazolin-4-yl]-4-methyl-1,3-thiazol-2-amine?
N-[6-(4-fluorophenoxy)quinazolin-4-yl]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 352.39 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-fluorophenoxy)quinazolin-4-yl]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 45483615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).