2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-propan-2-yl-1,3-thiazolidin-4-one

C14H17FN2OS — CID 135989898

IUPAC2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-propan-2-yl-1,3-thiazolidin-4-one
SMILESCC(C)C1S/C(=N/[C@@H](C)c2ccccc2F)NC1=O
InChIInChI=1S/C14H17FN2OS/c1-8(2)12-13(18)17-14(19-12)16-9(3)10-6-4-5-7-11(10)15/h4-9,12H,1-3H3,(H,16,17,18)/t9-,12?/m0/s1
InChIKeyQWRVJBHMRTXNOK-QHGLUPRGSA-N
MW280.37 g/mol
LogP3.13
Rot. Bonds3

About 2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-propan-2-yl-1,3-thiazolidin-4-one

2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-propan-2-yl-1,3-thiazolidin-4-one (PubChem CID 135989898) has the molecular formula C14H17FN2OS and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-propan-2-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-propan-2-yl-1,3-thiazolidin-4-one
PubChem CID135989898
Molecular FormulaC14H17FN2OS
Molecular Weight280.37 g/mol
Exact Mass280.10
IUPAC Name2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-propan-2-yl-1,3-thiazolidin-4-one
SMILESCC(C)C1S/C(=N/[C@@H](C)c2ccccc2F)NC1=O
InChIInChI=1S/C14H17FN2OS/c1-8(2)12-13(18)17-14(19-12)16-9(3)10-6-4-5-7-11(10)15/h4-9,12H,1-3H3,(H,16,17,18)/t9-,12?/m0/s1
InChIKeyQWRVJBHMRTXNOK-QHGLUPRGSA-N
XLogP3.13
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.13
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

(5R)-2-(2-fluorophenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135566336
5-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-4-one
CID 137292365
2-[1-(2-fluorophenyl)ethylimino]-5-(2-methoxy-4-pyridinyl)-1,3-thiazolidin-4-one
CID 136595664
(5R)-2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135513272
2-[(2S)-3,3-dimethylbutan-2-yl]imino-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135989472
2-tert-butylimino-5-propan-2-yl-1,3-thiazolidin-4-one
CID 137292366
5-(4-bromophenyl)-2-[1-(2-fluorophenyl)ethylimino]-5-methyl-1,3-thiazolidin-4-one
CID 135989721
(2Z)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135986920
2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-5-(2-oxopiperidin-4-yl)-1,3-thiazolidin-4-one
CID 135989240
2-(4-methoxyphenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one
CID 137292283
(2Z,5S)-2-[(Z)-anthracen-9-ylmethylidenehydrazinylidene]-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135916192
2-[1-(2,4-difluorophenyl)ethylimino]-5-methyl-1,3-thiazolidin-4-one;4-methylpyridine
CID 143468662

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-propan-2-yl-1,3-thiazolidin-4-one?
The IUPAC name of 2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-propan-2-yl-1,3-thiazolidin-4-one (CID 135989898) is 2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-propan-2-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-propan-2-yl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-propan-2-yl-1,3-thiazolidin-4-one is CC(C)C1S/C(=N/[C@@H](C)c2ccccc2F)NC1=O.
What is the InChIKey of 2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-propan-2-yl-1,3-thiazolidin-4-one?
The InChIKey is QWRVJBHMRTXNOK-QHGLUPRGSA-N. The full InChI is InChI=1S/C14H17FN2OS/c1-8(2)12-13(18)17-14(19-12)16-9(3)10-6-4-5-7-11(10)15/h4-9,12H,1-3H3,(H,16,17,18)/t9-,12?/m0/s1.
What are the key properties of 2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-propan-2-yl-1,3-thiazolidin-4-one?
2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-propan-2-yl-1,3-thiazolidin-4-one has a molecular weight of 280.37 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-propan-2-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 135989898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).