2-(1-chloro-2-phenylethyl)imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one

C15H19ClN2OS — CID 173045612

IUPAC2-(1-chloro-2-phenylethyl)imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one
SMILESCC(C)C1(C)SC(=NC(Cl)Cc2ccccc2)NC1=O
InChIInChI=1S/C15H19ClN2OS/c1-10(2)15(3)13(19)18-14(20-15)17-12(16)9-11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3,(H,17,18,19)
InChIKeyGLRWGACHBIAVJD-UHFFFAOYSA-N
MW310.85 g/mol
LogP3.43
Rot. Bonds4

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

2-(1-chloro-2-phenylethyl)imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one (PubChem CID 173045612) has the molecular formula C15H19ClN2OS and a molecular weight of 310.85 g/mol. Its IUPAC name is 2-(1-chloro-2-phenylethyl)imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(1-chloro-2-phenylethyl)imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one
PubChem CID173045612
Molecular FormulaC15H19ClN2OS
Molecular Weight310.85 g/mol
Exact Mass310.09
IUPAC Name2-(1-chloro-2-phenylethyl)imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one
SMILESCC(C)C1(C)SC(=NC(Cl)Cc2ccccc2)NC1=O
InChIInChI=1S/C15H19ClN2OS/c1-10(2)15(3)13(19)18-14(20-15)17-12(16)9-11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3,(H,17,18,19)
InChIKeyGLRWGACHBIAVJD-UHFFFAOYSA-N
XLogP3.43
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.85
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

5-methyl-2-[(1S)-1-phenylethyl]imino-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135513260
2-[(1S)-1-(2-ethylphenyl)ethyl]imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one
CID 136626656
5-methyl-5-propan-2-yl-2-[(1R)-2,2,2-trifluoro-1-phenylethyl]imino-1,3-thiazolidin-4-one
CID 135611142
(5S)-5-methyl-5-propan-2-yl-2-[(1R)-1-pyridin-2-ylethyl]imino-1,3-thiazolidin-4-one
CID 135999759
(5R)-5-methyl-5-propan-2-yl-2-[(1R)-1-pyridin-4-ylethyl]imino-1,3-thiazolidin-4-one
CID 135989340
5-methyl-5-propan-2-yl-2-(pyridin-2-ylmethylimino)-1,3-thiazolidin-4-one
CID 135989212
(5R)-5-benzyl-2-tert-butylimino-5-methyl-1,3-thiazolidin-4-one;(5S)-5-benzyl-2-tert-butylimino-5-methyl-1,3-thiazolidin-4-one
CID 159517096
4-chloro-2-methyl-1-phenylpentan-3-one
CID 15444575
2-benzylimino-5-ethyl-5-methyl-1,3-thiazolidin-4-one;ethane;molecular hydrogen
CID 143468326
5-methyl-2-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methylimino]-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135611137
2,3-dimethylbutylbenzene;yttrium(3+)
CID 20744997
1-chloroethoxymethylbenzene
CID 12510706

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloro-2-phenylethyl)imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one?
The IUPAC name of 2-(1-chloro-2-phenylethyl)imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one (CID 173045612) is 2-(1-chloro-2-phenylethyl)imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(1-chloro-2-phenylethyl)imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(1-chloro-2-phenylethyl)imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one is CC(C)C1(C)SC(=NC(Cl)Cc2ccccc2)NC1=O.
What is the InChIKey of 2-(1-chloro-2-phenylethyl)imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one?
The InChIKey is GLRWGACHBIAVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2OS/c1-10(2)15(3)13(19)18-14(20-15)17-12(16)9-11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3,(H,17,18,19).
What are the key properties of 2-(1-chloro-2-phenylethyl)imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one?
2-(1-chloro-2-phenylethyl)imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one has a molecular weight of 310.85 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloro-2-phenylethyl)imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 173045612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).