[4-[2-amino-4-(2-fluoroethoxy)quinazolin-6-yl]phenyl]-(1,3-thiazolidin-3-yl)methanone

C20H19FN4O2S — CID 87510967

IUPAC[4-[2-amino-4-(2-fluoroethoxy)quinazolin-6-yl]phenyl]-(1,3-thiazolidin-3-yl)methanone
SMILESNc1nc(OCCF)c2cc(-c3ccc(C(=O)N4CCSC4)cc3)ccc2n1
InChIInChI=1S/C20H19FN4O2S/c21-7-9-27-18-16-11-15(5-6-17(16)23-20(22)24-18)13-1-3-14(4-2-13)19(26)25-8-10-28-12-25/h1-6,11H,7-10,12H2,(H2,22,23,24)
InChIKeyJUNGGBALXSERJH-UHFFFAOYSA-N
MW398.46 g/mol
LogP3.37
Rot. Bonds5

About [4-[2-amino-4-(2-fluoroethoxy)quinazolin-6-yl]phenyl]-(1,3-thiazolidin-3-yl)methanone

[4-[2-amino-4-(2-fluoroethoxy)quinazolin-6-yl]phenyl]-(1,3-thiazolidin-3-yl)methanone (PubChem CID 87510967) has the molecular formula C20H19FN4O2S and a molecular weight of 398.46 g/mol. Its IUPAC name is [4-[2-amino-4-(2-fluoroethoxy)quinazolin-6-yl]phenyl]-(1,3-thiazolidin-3-yl)methanone.

Molecular Properties

Compound Name[4-[2-amino-4-(2-fluoroethoxy)quinazolin-6-yl]phenyl]-(1,3-thiazolidin-3-yl)methanone
PubChem CID87510967
Molecular FormulaC20H19FN4O2S
Molecular Weight398.46 g/mol
Exact Mass398.12
IUPAC Name[4-[2-amino-4-(2-fluoroethoxy)quinazolin-6-yl]phenyl]-(1,3-thiazolidin-3-yl)methanone
SMILESNc1nc(OCCF)c2cc(-c3ccc(C(=O)N4CCSC4)cc3)ccc2n1
InChIInChI=1S/C20H19FN4O2S/c21-7-9-27-18-16-11-15(5-6-17(16)23-20(22)24-18)13-1-3-14(4-2-13)19(26)25-8-10-28-12-25/h1-6,11H,7-10,12H2,(H2,22,23,24)
InChIKeyJUNGGBALXSERJH-UHFFFAOYSA-N
XLogP3.37
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[2-amino-4-(2-fluoroethoxy)quinazolin-6-yl]phenyl]-(1,3-thiazolidin-3-yl)methanone?
The IUPAC name of [4-[2-amino-4-(2-fluoroethoxy)quinazolin-6-yl]phenyl]-(1,3-thiazolidin-3-yl)methanone (CID 87510967) is [4-[2-amino-4-(2-fluoroethoxy)quinazolin-6-yl]phenyl]-(1,3-thiazolidin-3-yl)methanone.
What is the SMILES notation for [4-[2-amino-4-(2-fluoroethoxy)quinazolin-6-yl]phenyl]-(1,3-thiazolidin-3-yl)methanone?
The canonical SMILES for [4-[2-amino-4-(2-fluoroethoxy)quinazolin-6-yl]phenyl]-(1,3-thiazolidin-3-yl)methanone is Nc1nc(OCCF)c2cc(-c3ccc(C(=O)N4CCSC4)cc3)ccc2n1.
What is the InChIKey of [4-[2-amino-4-(2-fluoroethoxy)quinazolin-6-yl]phenyl]-(1,3-thiazolidin-3-yl)methanone?
The InChIKey is JUNGGBALXSERJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2S/c21-7-9-27-18-16-11-15(5-6-17(16)23-20(22)24-18)13-1-3-14(4-2-13)19(26)25-8-10-28-12-25/h1-6,11H,7-10,12H2,(H2,22,23,24).
What are the key properties of [4-[2-amino-4-(2-fluoroethoxy)quinazolin-6-yl]phenyl]-(1,3-thiazolidin-3-yl)methanone?
[4-[2-amino-4-(2-fluoroethoxy)quinazolin-6-yl]phenyl]-(1,3-thiazolidin-3-yl)methanone has a molecular weight of 398.46 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-amino-4-(2-fluoroethoxy)quinazolin-6-yl]phenyl]-(1,3-thiazolidin-3-yl)methanone is sourced from PubChem (CID 87510967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).