2-[(1S)-1-(4-chlorophenyl)ethyl]imino-5-methyl-1,3-thiazolidin-4-one

C12H13ClN2OS — CID 135857052

IUPAC2-[(1S)-1-(4-chlorophenyl)ethyl]imino-5-methyl-1,3-thiazolidin-4-one
SMILESCC1S/C(=N/[C@@H](C)c2ccc(Cl)cc2)NC1=O
InChIInChI=1S/C12H13ClN2OS/c1-7(9-3-5-10(13)6-4-9)14-12-15-11(16)8(2)17-12/h3-8H,1-2H3,(H,14,15,16)/t7-,8?/m0/s1
InChIKeyIVNSSEZQAQYYRW-JAMMHHFISA-N
MW268.77 g/mol
LogP3.01
Rot. Bonds2

About 2-[(1S)-1-(4-chlorophenyl)ethyl]imino-5-methyl-1,3-thiazolidin-4-one

2-[(1S)-1-(4-chlorophenyl)ethyl]imino-5-methyl-1,3-thiazolidin-4-one (PubChem CID 135857052) has the molecular formula C12H13ClN2OS and a molecular weight of 268.77 g/mol. Its IUPAC name is 2-[(1S)-1-(4-chlorophenyl)ethyl]imino-5-methyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[(1S)-1-(4-chlorophenyl)ethyl]imino-5-methyl-1,3-thiazolidin-4-one
PubChem CID135857052
Molecular FormulaC12H13ClN2OS
Molecular Weight268.77 g/mol
Exact Mass268.04
IUPAC Name2-[(1S)-1-(4-chlorophenyl)ethyl]imino-5-methyl-1,3-thiazolidin-4-one
SMILESCC1S/C(=N/[C@@H](C)c2ccc(Cl)cc2)NC1=O
InChIInChI=1S/C12H13ClN2OS/c1-7(9-3-5-10(13)6-4-9)14-12-15-11(16)8(2)17-12/h3-8H,1-2H3,(H,14,15,16)/t7-,8?/m0/s1
InChIKeyIVNSSEZQAQYYRW-JAMMHHFISA-N
XLogP3.01
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.77
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5S)-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 135935638
(2Z)-2-[(E)-2-(4-chlorophenyl)sulfanylethylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 135465341
1-chloro-4-(1-nitrosoethyl)benzene
CID 54345655
N-[1-(4-chlorophenyl)ethyl]-8-oxa-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136819571
N-(3-chloro-4-methylphenyl)-2-[(5S)-4-oxo-2-[(1R)-1-phenylethyl]imino-1,3-thiazolidin-5-yl]acetamide
CID 135775034
2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135989898
N-(4-fluorophenyl)-2-[(5S)-4-oxo-2-[(1S)-1-phenylethyl]imino-1,3-thiazolidin-5-yl]acetamide
CID 135691402
N-(4-methylphenyl)-2-[(5R)-4-oxo-2-[(1R)-1-phenylethyl]imino-1,3-thiazolidin-5-yl]acetamide
CID 135691400
(2Z,5S)-2-[(E)-(2-chlorophenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 136822476
2-bromopropanoic acid;5-methyl-2-methylimino-1,3-thiazolidin-4-one
CID 157452184
(5S,6Z,10E)-2-[1-(4-fluorophenyl)ethylimino]-5-methyl-1-thia-3,9-diazacycloundeca-6,8,10-trien-4-one
CID 136607285
(5R)-2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-(6-methoxy-3,4-dihydropyridin-4-yl)-1,3-thiazolidin-4-one
CID 136646842

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-(4-chlorophenyl)ethyl]imino-5-methyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-[(1S)-1-(4-chlorophenyl)ethyl]imino-5-methyl-1,3-thiazolidin-4-one (CID 135857052) is 2-[(1S)-1-(4-chlorophenyl)ethyl]imino-5-methyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[(1S)-1-(4-chlorophenyl)ethyl]imino-5-methyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[(1S)-1-(4-chlorophenyl)ethyl]imino-5-methyl-1,3-thiazolidin-4-one is CC1S/C(=N/[C@@H](C)c2ccc(Cl)cc2)NC1=O.
What is the InChIKey of 2-[(1S)-1-(4-chlorophenyl)ethyl]imino-5-methyl-1,3-thiazolidin-4-one?
The InChIKey is IVNSSEZQAQYYRW-JAMMHHFISA-N. The full InChI is InChI=1S/C12H13ClN2OS/c1-7(9-3-5-10(13)6-4-9)14-12-15-11(16)8(2)17-12/h3-8H,1-2H3,(H,14,15,16)/t7-,8?/m0/s1.
What are the key properties of 2-[(1S)-1-(4-chlorophenyl)ethyl]imino-5-methyl-1,3-thiazolidin-4-one?
2-[(1S)-1-(4-chlorophenyl)ethyl]imino-5-methyl-1,3-thiazolidin-4-one has a molecular weight of 268.77 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-(4-chlorophenyl)ethyl]imino-5-methyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 135857052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).