(4S)-3-benzoyl-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1,3-thiazolidine-4-carboxamide

C23H20FN3O3S — CID 51943870

IUPAC(4S)-3-benzoyl-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCc1cccnc1Oc1cccc(F)c1)[C@H]1CSCN1C(=O)c1ccccc1
InChIInChI=1S/C23H20FN3O3S/c24-18-9-4-10-19(12-18)30-22-17(8-5-11-25-22)13-26-21(28)20-14-31-15-27(20)23(29)16-6-2-1-3-7-16/h1-12,20H,13-15H2,(H,26,28)/t20-/m1/s1
InChIKeyNPGSMRSCGDLTRV-HXUWFJFHSA-N
MW437.50 g/mol
LogP3.84
Rot. Bonds6

About (4S)-3-benzoyl-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1,3-thiazolidine-4-carboxamide

(4S)-3-benzoyl-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 51943870) has the molecular formula C23H20FN3O3S and a molecular weight of 437.50 g/mol. Its IUPAC name is (4S)-3-benzoyl-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-3-benzoyl-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1,3-thiazolidine-4-carboxamide
PubChem CID51943870
Molecular FormulaC23H20FN3O3S
Molecular Weight437.50 g/mol
Exact Mass437.12
IUPAC Name(4S)-3-benzoyl-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCc1cccnc1Oc1cccc(F)c1)[C@H]1CSCN1C(=O)c1ccccc1
InChIInChI=1S/C23H20FN3O3S/c24-18-9-4-10-19(12-18)30-22-17(8-5-11-25-22)13-26-21(28)20-14-31-15-27(20)23(29)16-6-2-1-3-7-16/h1-12,20H,13-15H2,(H,26,28)/t20-/m1/s1
InChIKeyNPGSMRSCGDLTRV-HXUWFJFHSA-N
XLogP3.84
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4S)-3-benzoyl-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1,3-thiazolidine-4-carboxamide with MolForge

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Related Compounds

(2R)-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 52535677
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 46454616
3-benzoyl-N-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 55545581
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]morpholine-3-carboxamide
CID 119847828
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 55862938
(2S,5R)-5-(aminomethyl)-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]oxolane-2-carboxamide;dihydrochloride
CID 120798007
(4R)-3-benzoyl-N-[(4-phenylmethoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 55938881
(E)-4-(dimethylamino)-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]but-2-enamide
CID 146100901
3-(benzenesulfonylmethyl)-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]benzamide
CID 55777426
3-(4-chlorobenzoyl)-N-(pyridin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 42744790
N-[2-[[2-(3-fluorophenoxy)-3-pyridinyl]methylamino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 55837977
3-(4-methylbenzoyl)-N-(pyridin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 42745306

Frequently Asked Questions

What is the IUPAC name of (4S)-3-benzoyl-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4S)-3-benzoyl-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1,3-thiazolidine-4-carboxamide (CID 51943870) is (4S)-3-benzoyl-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4S)-3-benzoyl-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4S)-3-benzoyl-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1,3-thiazolidine-4-carboxamide is O=C(NCc1cccnc1Oc1cccc(F)c1)[C@H]1CSCN1C(=O)c1ccccc1.
What is the InChIKey of (4S)-3-benzoyl-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is NPGSMRSCGDLTRV-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H20FN3O3S/c24-18-9-4-10-19(12-18)30-22-17(8-5-11-25-22)13-26-21(28)20-14-31-15-27(20)23(29)16-6-2-1-3-7-16/h1-12,20H,13-15H2,(H,26,28)/t20-/m1/s1.
What are the key properties of (4S)-3-benzoyl-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1,3-thiazolidine-4-carboxamide?
(4S)-3-benzoyl-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 437.50 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-benzoyl-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 51943870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).