(5S)-2-(2-chlorophenyl)imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one

C13H15ClN2OS — CID 135989199

IUPAC(5S)-2-(2-chlorophenyl)imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one
SMILESCC(C)[C@]1(C)S/C(=N/c2ccccc2Cl)NC1=O
InChIInChI=1S/C13H15ClN2OS/c1-8(2)13(3)11(17)16-12(18-13)15-10-7-5-4-6-9(10)14/h4-8H,1-3H3,(H,15,16,17)/t13-/m0/s1
InChIKeyTULNEJCEVLHZMZ-ZDUSSCGKSA-N
MW282.80 g/mol
LogP3.61
Rot. Bonds2

About (5S)-2-(2-chlorophenyl)imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one

(5S)-2-(2-chlorophenyl)imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one (PubChem CID 135989199) has the molecular formula C13H15ClN2OS and a molecular weight of 282.80 g/mol. Its IUPAC name is (5S)-2-(2-chlorophenyl)imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5S)-2-(2-chlorophenyl)imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one
PubChem CID135989199
Molecular FormulaC13H15ClN2OS
Molecular Weight282.80 g/mol
Exact Mass282.06
IUPAC Name(5S)-2-(2-chlorophenyl)imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one
SMILESCC(C)[C@]1(C)S/C(=N/c2ccccc2Cl)NC1=O
InChIInChI=1S/C13H15ClN2OS/c1-8(2)13(3)11(17)16-12(18-13)15-10-7-5-4-6-9(10)14/h4-8H,1-3H3,(H,15,16,17)/t13-/m0/s1
InChIKeyTULNEJCEVLHZMZ-ZDUSSCGKSA-N
XLogP3.61
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.80
LogP ≤ 53.61
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

2-(2-Chloroanilino)-5,5-bis(hydroxymethyl)-1,3-thiazol-4-one
CID 135410795
2-Anilino-5-isopropyl-thiazol-4-one
CID 135425127
2-(2-Chlorophenyl)imino-5-cyclopentyl-1,3-thiazolidin-4-one
CID 135989247
2-(2,6-Dichlorophenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135989325
2-(2-Chlorophenyl)imino-5-cyclohexyl-1,3-thiazolidin-4-one
CID 135989342
2-(2,4-Dichlorophenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135989380
2-(2-Chlorophenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135989432
2-(2-Chlorophenyl)imino-5-methyl-1,3-thiazolidin-4-one
CID 135999786
5-Ethyl-2-(2-fluorophenyl)imino-5-methyl-1,3-thiazolidin-4-one
CID 136169588
(2Z)-2-[(4-chlorophenyl)imino]-1,3-thiazolidin-4-one
CID 135458732
Stk347774
CID 135417096
(2Z)-2-[(2,5-dichlorophenyl)imino]-1,3-thiazolidin-4-one
CID 135491548

Frequently Asked Questions

What is the IUPAC name of (5S)-2-(2-chlorophenyl)imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one?
The IUPAC name of (5S)-2-(2-chlorophenyl)imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one (CID 135989199) is (5S)-2-(2-chlorophenyl)imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for (5S)-2-(2-chlorophenyl)imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one?
The canonical SMILES for (5S)-2-(2-chlorophenyl)imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one is CC(C)[C@]1(C)S/C(=N/c2ccccc2Cl)NC1=O.
What is the InChIKey of (5S)-2-(2-chlorophenyl)imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one?
The InChIKey is TULNEJCEVLHZMZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H15ClN2OS/c1-8(2)13(3)11(17)16-12(18-13)15-10-7-5-4-6-9(10)14/h4-8H,1-3H3,(H,15,16,17)/t13-/m0/s1.
What are the key properties of (5S)-2-(2-chlorophenyl)imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one?
(5S)-2-(2-chlorophenyl)imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one has a molecular weight of 282.80 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-(2-chlorophenyl)imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 135989199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).