2-[[(4R)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylidene-5-oxoimidazolidin-4-yl]methyl]-6-methoxy-3H-isoindol-1-one

C23H19FN4O3S — CID 143510372

IUPAC2-[[(4R)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylidene-5-oxoimidazolidin-4-yl]methyl]-6-methoxy-3H-isoindol-1-one
SMILESC=C1NC(=O)[C@](CN2Cc3ccc(OC)cc3C2=O)(c2nc(-c3ccc(F)cc3)cs2)N1
InChIInChI=1S/C23H19FN4O3S/c1-13-25-21(30)23(27-13,22-26-19(11-32-22)14-3-6-16(24)7-4-14)12-28-10-15-5-8-17(31-2)9-18(15)20(28)29/h3-9,11,27H,1,10,12H2,2H3,(H,25,30)/t23-/m1/s1
InChIKeySGGMUVNSJJGQET-HSZRJFAPSA-N
MW450.50 g/mol
LogP3.00
Rot. Bonds5

About 2-[[(4R)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylidene-5-oxoimidazolidin-4-yl]methyl]-6-methoxy-3H-isoindol-1-one

2-[[(4R)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylidene-5-oxoimidazolidin-4-yl]methyl]-6-methoxy-3H-isoindol-1-one (PubChem CID 143510372) has the molecular formula C23H19FN4O3S and a molecular weight of 450.50 g/mol. Its IUPAC name is 2-[[(4R)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylidene-5-oxoimidazolidin-4-yl]methyl]-6-methoxy-3H-isoindol-1-one.

Molecular Properties

Compound Name2-[[(4R)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylidene-5-oxoimidazolidin-4-yl]methyl]-6-methoxy-3H-isoindol-1-one
PubChem CID143510372
Molecular FormulaC23H19FN4O3S
Molecular Weight450.50 g/mol
Exact Mass450.12
IUPAC Name2-[[(4R)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylidene-5-oxoimidazolidin-4-yl]methyl]-6-methoxy-3H-isoindol-1-one
SMILESC=C1NC(=O)[C@](CN2Cc3ccc(OC)cc3C2=O)(c2nc(-c3ccc(F)cc3)cs2)N1
InChIInChI=1S/C23H19FN4O3S/c1-13-25-21(30)23(27-13,22-26-19(11-32-22)14-3-6-16(24)7-4-14)12-28-10-15-5-8-17(31-2)9-18(15)20(28)29/h3-9,11,27H,1,10,12H2,2H3,(H,25,30)/t23-/m1/s1
InChIKeySGGMUVNSJJGQET-HSZRJFAPSA-N
XLogP3.00
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[(4R)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylidene-5-oxoimidazolidin-4-yl]methyl]-6-methoxy-3H-isoindol-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[(4R)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylidene-5-oxoimidazolidin-4-yl]methyl]-6-methoxy-3H-isoindol-1-one?
The IUPAC name of 2-[[(4R)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylidene-5-oxoimidazolidin-4-yl]methyl]-6-methoxy-3H-isoindol-1-one (CID 143510372) is 2-[[(4R)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylidene-5-oxoimidazolidin-4-yl]methyl]-6-methoxy-3H-isoindol-1-one.
What is the SMILES notation for 2-[[(4R)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylidene-5-oxoimidazolidin-4-yl]methyl]-6-methoxy-3H-isoindol-1-one?
The canonical SMILES for 2-[[(4R)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylidene-5-oxoimidazolidin-4-yl]methyl]-6-methoxy-3H-isoindol-1-one is C=C1NC(=O)[C@](CN2Cc3ccc(OC)cc3C2=O)(c2nc(-c3ccc(F)cc3)cs2)N1.
What is the InChIKey of 2-[[(4R)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylidene-5-oxoimidazolidin-4-yl]methyl]-6-methoxy-3H-isoindol-1-one?
The InChIKey is SGGMUVNSJJGQET-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H19FN4O3S/c1-13-25-21(30)23(27-13,22-26-19(11-32-22)14-3-6-16(24)7-4-14)12-28-10-15-5-8-17(31-2)9-18(15)20(28)29/h3-9,11,27H,1,10,12H2,2H3,(H,25,30)/t23-/m1/s1.
What are the key properties of 2-[[(4R)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylidene-5-oxoimidazolidin-4-yl]methyl]-6-methoxy-3H-isoindol-1-one?
2-[[(4R)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylidene-5-oxoimidazolidin-4-yl]methyl]-6-methoxy-3H-isoindol-1-one has a molecular weight of 450.50 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4R)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylidene-5-oxoimidazolidin-4-yl]methyl]-6-methoxy-3H-isoindol-1-one is sourced from PubChem (CID 143510372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).