[(4S)-4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-phenylmethanone

C19H20N2OS — CID 7915910

IUPAC[(4S)-4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-phenylmethanone
SMILESCC[C@H]1CS/C(=N\c2cccc(C)c2)N1C(=O)c1ccccc1
InChIInChI=1S/C19H20N2OS/c1-3-17-13-23-19(20-16-11-7-8-14(2)12-16)21(17)18(22)15-9-5-4-6-10-15/h4-12,17H,3,13H2,1-2H3/b20-19-/t17-/m0/s1
InChIKeyMPJUPMSKEBDQOB-SKQREZPOSA-N
MW324.45 g/mol
LogP4.65
Rot. Bonds3

About [(4S)-4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-phenylmethanone

[(4S)-4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-phenylmethanone (PubChem CID 7915910) has the molecular formula C19H20N2OS and a molecular weight of 324.45 g/mol. Its IUPAC name is [(4S)-4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[(4S)-4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-phenylmethanone
PubChem CID7915910
Molecular FormulaC19H20N2OS
Molecular Weight324.45 g/mol
Exact Mass324.13
IUPAC Name[(4S)-4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-phenylmethanone
SMILESCC[C@H]1CS/C(=N\c2cccc(C)c2)N1C(=O)c1ccccc1
InChIInChI=1S/C19H20N2OS/c1-3-17-13-23-19(20-16-11-7-8-14(2)12-16)21(17)18(22)15-9-5-4-6-10-15/h4-12,17H,3,13H2,1-2H3/b20-19-/t17-/m0/s1
InChIKeyMPJUPMSKEBDQOB-SKQREZPOSA-N
XLogP4.65
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(4S)-4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidine-3-carbonyl]benzonitrile
CID 8780937
1-[(4R)-4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-phenoxyethanone
CID 7915922
[(4R)-4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-(4-methoxy-3-nitrophenyl)methanone
CID 2561505
2-[2-[(4S)-4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-oxoethoxy]benzonitrile
CID 8780943
1-[(4R)-4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-(2-methylphenoxy)ethanone
CID 7915971
1-[(4S)-4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-(2-methoxyphenoxy)ethanone
CID 8780941
[(4R)-4-ethyl-2-phenylimino-1,3-thiazolidin-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 8781080
1-[4-[2-[(4S)-4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-2-oxoethoxy]phenyl]propan-1-one
CID 7916000
[(4S)-4-ethyl-2-(4-methoxyphenyl)imino-1,3-thiazolidin-3-yl]-(3-methoxyphenyl)methanone
CID 8781007
1-[4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 18278346
[2-(3,4-dichlorophenyl)imino-4-ethyl-1,3-thiazolidin-3-yl]-pyridin-2-ylmethanone
CID 55335389
[4-ethyl-2-(4-methoxyphenyl)imino-1,3-thiazolidin-3-yl]-[4-(methoxymethyl)phenyl]methanone
CID 18284741

Frequently Asked Questions

What is the IUPAC name of [(4S)-4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-phenylmethanone?
The IUPAC name of [(4S)-4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-phenylmethanone (CID 7915910) is [(4S)-4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-phenylmethanone.
What is the SMILES notation for [(4S)-4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-phenylmethanone?
The canonical SMILES for [(4S)-4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-phenylmethanone is CC[C@H]1CS/C(=N\c2cccc(C)c2)N1C(=O)c1ccccc1.
What is the InChIKey of [(4S)-4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-phenylmethanone?
The InChIKey is MPJUPMSKEBDQOB-SKQREZPOSA-N. The full InChI is InChI=1S/C19H20N2OS/c1-3-17-13-23-19(20-16-11-7-8-14(2)12-16)21(17)18(22)15-9-5-4-6-10-15/h4-12,17H,3,13H2,1-2H3/b20-19-/t17-/m0/s1.
What are the key properties of [(4S)-4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-phenylmethanone?
[(4S)-4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-phenylmethanone has a molecular weight of 324.45 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-phenylmethanone is sourced from PubChem (CID 7915910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).