2-imino-5-[3-[phenyl-[[(1R)-1-phenylethyl]amino]methyl]phenyl]-1,3-thiazolidin-4-one

C24H23N3OS — CID 172686647

IUPAC2-imino-5-[3-[phenyl-[[(1R)-1-phenylethyl]amino]methyl]phenyl]-1,3-thiazolidin-4-one
SMILES[H]/N=C1\NC(=O)C(c2cccc(C(N[C@H](C)c3ccccc3)c3ccccc3)c2)S1
InChIInChI=1S/C24H23N3OS/c1-16(17-9-4-2-5-10-17)26-21(18-11-6-3-7-12-18)19-13-8-14-20(15-19)22-23(28)27-24(25)29-22/h2-16,21-22,26H,1H3,(H2,25,27,28)/t16-,21?,22?/m1/s1
InChIKeyBCWBLOPJCXJMMZ-NYYVNYEXSA-N
MW401.54 g/mol
LogP4.97
Rot. Bonds6

About 2-imino-5-[3-[phenyl-[[(1R)-1-phenylethyl]amino]methyl]phenyl]-1,3-thiazolidin-4-one

2-imino-5-[3-[phenyl-[[(1R)-1-phenylethyl]amino]methyl]phenyl]-1,3-thiazolidin-4-one (PubChem CID 172686647) has the molecular formula C24H23N3OS and a molecular weight of 401.54 g/mol. Its IUPAC name is 2-imino-5-[3-[phenyl-[[(1R)-1-phenylethyl]amino]methyl]phenyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-imino-5-[3-[phenyl-[[(1R)-1-phenylethyl]amino]methyl]phenyl]-1,3-thiazolidin-4-one
PubChem CID172686647
Molecular FormulaC24H23N3OS
Molecular Weight401.54 g/mol
Exact Mass401.16
IUPAC Name2-imino-5-[3-[phenyl-[[(1R)-1-phenylethyl]amino]methyl]phenyl]-1,3-thiazolidin-4-one
SMILES[H]/N=C1\NC(=O)C(c2cccc(C(N[C@H](C)c3ccccc3)c3ccccc3)c2)S1
InChIInChI=1S/C24H23N3OS/c1-16(17-9-4-2-5-10-17)26-21(18-11-6-3-7-12-18)19-13-8-14-20(15-19)22-23(28)27-24(25)29-22/h2-16,21-22,26H,1H3,(H2,25,27,28)/t16-,21?,22?/m1/s1
InChIKeyBCWBLOPJCXJMMZ-NYYVNYEXSA-N
XLogP4.97
TPSA64.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.54
LogP ≤ 54.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-imino-5-[3-[phenyl-[[(1R)-1-phenylethyl]amino]methyl]phenyl]-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[3-[phenyl-[[(1S)-1-phenylethyl]amino]methyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 139837932
[3-[(R)-phenyl-[[(1R)-1-phenylethyl]amino]methyl]phenyl]methanol
CID 131851990
5-[[3-[phenyl-[[(1R)-1-phenylethyl]amino]methyl]phenyl]methyl]-3-trityl-1,3-thiazolidine-2,4-dione
CID 139837970
5-[[3-[[[(1S)-1-naphthalen-1-ylethyl]amino]-phenylmethyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 139837865
methyl 2-hydroxy-2-[3-[phenyl-[[(1R)-1-phenylethyl]amino]methyl]phenyl]acetate
CID 139837903
5-[[3-[[1-(4-cyclohexylphenyl)ethylamino]-(4-methoxyphenyl)methyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 139837948
2-imino-5-phenacyl-1,3-thiazolidin-4-one
CID 138978177
5-[[3-[[[(1R)-1-(4-bromophenyl)ethyl]amino]-(4-methoxyphenyl)methyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 139837878
2-oxo-2-[(5R)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]-N-[(1S)-1-phenylethyl]acetamide
CID 124632022
2-oxo-2-[(5S)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 124632025
5-[[5-[[1-(3,4-difluorophenyl)ethylamino]-phenylmethyl]-2-methoxyphenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 139837969
5-[[3-[phenyl-[[(1R)-1-phenylpropyl]amino]methyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 139837957

Frequently Asked Questions

What is the IUPAC name of 2-imino-5-[3-[phenyl-[[(1R)-1-phenylethyl]amino]methyl]phenyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-imino-5-[3-[phenyl-[[(1R)-1-phenylethyl]amino]methyl]phenyl]-1,3-thiazolidin-4-one (CID 172686647) is 2-imino-5-[3-[phenyl-[[(1R)-1-phenylethyl]amino]methyl]phenyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-imino-5-[3-[phenyl-[[(1R)-1-phenylethyl]amino]methyl]phenyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-imino-5-[3-[phenyl-[[(1R)-1-phenylethyl]amino]methyl]phenyl]-1,3-thiazolidin-4-one is [H]/N=C1\NC(=O)C(c2cccc(C(N[C@H](C)c3ccccc3)c3ccccc3)c2)S1.
What is the InChIKey of 2-imino-5-[3-[phenyl-[[(1R)-1-phenylethyl]amino]methyl]phenyl]-1,3-thiazolidin-4-one?
The InChIKey is BCWBLOPJCXJMMZ-NYYVNYEXSA-N. The full InChI is InChI=1S/C24H23N3OS/c1-16(17-9-4-2-5-10-17)26-21(18-11-6-3-7-12-18)19-13-8-14-20(15-19)22-23(28)27-24(25)29-22/h2-16,21-22,26H,1H3,(H2,25,27,28)/t16-,21?,22?/m1/s1.
What are the key properties of 2-imino-5-[3-[phenyl-[[(1R)-1-phenylethyl]amino]methyl]phenyl]-1,3-thiazolidin-4-one?
2-imino-5-[3-[phenyl-[[(1R)-1-phenylethyl]amino]methyl]phenyl]-1,3-thiazolidin-4-one has a molecular weight of 401.54 g/mol, XLogP of 4.97, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-5-[3-[phenyl-[[(1R)-1-phenylethyl]amino]methyl]phenyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 172686647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).