N-[1-[5-(4-fluorophenoxy)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-oxopyrrolidin-3-yl]morpholine-4-carboxamide

C24H22F2N4O4S — CID 67361577

IUPACN-[1-[5-(4-fluorophenoxy)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-oxopyrrolidin-3-yl]morpholine-4-carboxamide
SMILESO=C(NC1CCN(c2nc(-c3ccc(F)cc3)c(Oc3ccc(F)cc3)s2)C1=O)N1CCOCC1
InChIInChI=1S/C24H22F2N4O4S/c25-16-3-1-15(2-4-16)20-22(34-18-7-5-17(26)6-8-18)35-24(28-20)30-10-9-19(21(30)31)27-23(32)29-11-13-33-14-12-29/h1-8,19H,9-14H2,(H,27,32)
InChIKeyFJAOQSXKUFKZNJ-UHFFFAOYSA-N
MW500.53 g/mol
LogP4.03
Rot. Bonds5

About N-[1-[5-(4-fluorophenoxy)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-oxopyrrolidin-3-yl]morpholine-4-carboxamide

N-[1-[5-(4-fluorophenoxy)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-oxopyrrolidin-3-yl]morpholine-4-carboxamide (PubChem CID 67361577) has the molecular formula C24H22F2N4O4S and a molecular weight of 500.53 g/mol. Its IUPAC name is N-[1-[5-(4-fluorophenoxy)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-oxopyrrolidin-3-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[5-(4-fluorophenoxy)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-oxopyrrolidin-3-yl]morpholine-4-carboxamide
PubChem CID67361577
Molecular FormulaC24H22F2N4O4S
Molecular Weight500.53 g/mol
Exact Mass500.13
IUPAC NameN-[1-[5-(4-fluorophenoxy)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-oxopyrrolidin-3-yl]morpholine-4-carboxamide
SMILESO=C(NC1CCN(c2nc(-c3ccc(F)cc3)c(Oc3ccc(F)cc3)s2)C1=O)N1CCOCC1
InChIInChI=1S/C24H22F2N4O4S/c25-16-3-1-15(2-4-16)20-22(34-18-7-5-17(26)6-8-18)35-24(28-20)30-10-9-19(21(30)31)27-23(32)29-11-13-33-14-12-29/h1-8,19H,9-14H2,(H,27,32)
InChIKeyFJAOQSXKUFKZNJ-UHFFFAOYSA-N
XLogP4.03
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.53
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(4-fluorophenoxy)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-oxopyrrolidin-3-yl]morpholine-4-carboxamide?
The IUPAC name of N-[1-[5-(4-fluorophenoxy)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-oxopyrrolidin-3-yl]morpholine-4-carboxamide (CID 67361577) is N-[1-[5-(4-fluorophenoxy)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-oxopyrrolidin-3-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[1-[5-(4-fluorophenoxy)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-oxopyrrolidin-3-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[1-[5-(4-fluorophenoxy)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-oxopyrrolidin-3-yl]morpholine-4-carboxamide is O=C(NC1CCN(c2nc(-c3ccc(F)cc3)c(Oc3ccc(F)cc3)s2)C1=O)N1CCOCC1.
What is the InChIKey of N-[1-[5-(4-fluorophenoxy)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-oxopyrrolidin-3-yl]morpholine-4-carboxamide?
The InChIKey is FJAOQSXKUFKZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N4O4S/c25-16-3-1-15(2-4-16)20-22(34-18-7-5-17(26)6-8-18)35-24(28-20)30-10-9-19(21(30)31)27-23(32)29-11-13-33-14-12-29/h1-8,19H,9-14H2,(H,27,32).
What are the key properties of N-[1-[5-(4-fluorophenoxy)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-oxopyrrolidin-3-yl]morpholine-4-carboxamide?
N-[1-[5-(4-fluorophenoxy)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-oxopyrrolidin-3-yl]morpholine-4-carboxamide has a molecular weight of 500.53 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(4-fluorophenoxy)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-oxopyrrolidin-3-yl]morpholine-4-carboxamide is sourced from PubChem (CID 67361577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).