(3-methoxyphenyl)-[(5S)-5-methyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]methanone

C19H20N2O2S — CID 8839914

IUPAC(3-methoxyphenyl)-[(5S)-5-methyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]methanone
SMILESCOc1cccc(C(=O)N2C[C@H](C)S/C2=N\c2cccc(C)c2)c1
InChIInChI=1S/C19H20N2O2S/c1-13-6-4-8-16(10-13)20-19-21(12-14(2)24-19)18(22)15-7-5-9-17(11-15)23-3/h4-11,14H,12H2,1-3H3/b20-19-/t14-/m0/s1
InChIKeyNIBPOVWFWSSWTE-SXZOAGKDSA-N
MW340.45 g/mol
LogP4.27
Rot. Bonds3

About (3-methoxyphenyl)-[(5S)-5-methyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]methanone

(3-methoxyphenyl)-[(5S)-5-methyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]methanone (PubChem CID 8839914) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is (3-methoxyphenyl)-[(5S)-5-methyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]methanone.

Molecular Properties

Compound Name(3-methoxyphenyl)-[(5S)-5-methyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]methanone
PubChem CID8839914
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name(3-methoxyphenyl)-[(5S)-5-methyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]methanone
SMILESCOc1cccc(C(=O)N2C[C@H](C)S/C2=N\c2cccc(C)c2)c1
InChIInChI=1S/C19H20N2O2S/c1-13-6-4-8-16(10-13)20-19-21(12-14(2)24-19)18(22)15-7-5-9-17(11-15)23-3/h4-11,14H,12H2,1-3H3/b20-19-/t14-/m0/s1
InChIKeyNIBPOVWFWSSWTE-SXZOAGKDSA-N
XLogP4.27
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-methoxyphenyl)-[(5R)-5-methyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]methanone
CID 8839909
[(5R)-5-methyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-[3-(methylsulfonylmethyl)phenyl]methanone
CID 8895471
[(5S)-5-methyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-(4-nitrophenyl)methanone
CID 8839906
10-[2-[5-methyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-oxoethyl]acridin-9-one
CID 16605584
3-[[3-(4-methoxy-3-nitrobenzoyl)-5-methyl-1,3-thiazolidin-2-ylidene]amino]-N,N-dimethylbenzenesulfonamide
CID 3293753
(3-methoxyphenyl)-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone
CID 2465576
N,N-dimethyl-3-[[5-methyl-3-[4-(3-methylphenoxy)butanoyl]-1,3-thiazolidin-2-ylidene]amino]benzenesulfonamide
CID 4241065
[(4S)-4-ethyl-2-(4-methoxyphenyl)imino-1,3-thiazolidin-3-yl]-(3-methoxyphenyl)methanone
CID 8781007
(3-hydroxyazetidin-1-yl)-(3-methoxyphenyl)methanone
CID 63107497
(3-methoxyphenyl)-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone
CID 16573661
(3,5-dimethylpiperazin-1-yl)-(3-methoxyphenyl)methanone
CID 63874051
[2-(2,5-dimethoxyphenyl)imino-1,3-thiazinan-3-yl]-(3-methylphenyl)methanone
CID 8781045

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-[(5S)-5-methyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]methanone?
The IUPAC name of (3-methoxyphenyl)-[(5S)-5-methyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]methanone (CID 8839914) is (3-methoxyphenyl)-[(5S)-5-methyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]methanone.
What is the SMILES notation for (3-methoxyphenyl)-[(5S)-5-methyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]methanone?
The canonical SMILES for (3-methoxyphenyl)-[(5S)-5-methyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]methanone is COc1cccc(C(=O)N2C[C@H](C)S/C2=N\c2cccc(C)c2)c1.
What is the InChIKey of (3-methoxyphenyl)-[(5S)-5-methyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]methanone?
The InChIKey is NIBPOVWFWSSWTE-SXZOAGKDSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-13-6-4-8-16(10-13)20-19-21(12-14(2)24-19)18(22)15-7-5-9-17(11-15)23-3/h4-11,14H,12H2,1-3H3/b20-19-/t14-/m0/s1.
What are the key properties of (3-methoxyphenyl)-[(5S)-5-methyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]methanone?
(3-methoxyphenyl)-[(5S)-5-methyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]methanone has a molecular weight of 340.45 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-[(5S)-5-methyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]methanone is sourced from PubChem (CID 8839914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).