N-(3-chloro-2-methylphenyl)-2-[(5S)-2-(3-methylbutylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide

C17H22ClN3O2S — CID 135691749

IUPACN-(3-chloro-2-methylphenyl)-2-[(5S)-2-(3-methylbutylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCc1c(Cl)cccc1NC(=O)C[C@@H]1S/C(=N/CCC(C)C)NC1=O
InChIInChI=1S/C17H22ClN3O2S/c1-10(2)7-8-19-17-21-16(23)14(24-17)9-15(22)20-13-6-4-5-12(18)11(13)3/h4-6,10,14H,7-9H2,1-3H3,(H,20,22)(H,19,21,23)/t14-/m0/s1
InChIKeyMQLPSZOKYQEHOO-AWEZNQCLSA-N
MW367.90 g/mol
LogP3.61
Rot. Bonds6

About N-(3-chloro-2-methylphenyl)-2-[(5S)-2-(3-methylbutylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide

N-(3-chloro-2-methylphenyl)-2-[(5S)-2-(3-methylbutylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide (PubChem CID 135691749) has the molecular formula C17H22ClN3O2S and a molecular weight of 367.90 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-[(5S)-2-(3-methylbutylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-[(5S)-2-(3-methylbutylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide
PubChem CID135691749
Molecular FormulaC17H22ClN3O2S
Molecular Weight367.90 g/mol
Exact Mass367.11
IUPAC NameN-(3-chloro-2-methylphenyl)-2-[(5S)-2-(3-methylbutylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCc1c(Cl)cccc1NC(=O)C[C@@H]1S/C(=N/CCC(C)C)NC1=O
InChIInChI=1S/C17H22ClN3O2S/c1-10(2)7-8-19-17-21-16(23)14(24-17)9-15(22)20-13-6-4-5-12(18)11(13)3/h4-6,10,14H,7-9H2,1-3H3,(H,20,22)(H,19,21,23)/t14-/m0/s1
InChIKeyMQLPSZOKYQEHOO-AWEZNQCLSA-N
XLogP3.61
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.90
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(5S)-2-(3-methylbutylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 135691768
2-[(5S)-2-(3-methylbutylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-1-ylacetamide
CID 135691756
2-[(5R)-2-[(2R)-butan-2-yl]imino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-chloro-2-methylphenyl)acetamide
CID 135673097
2-[(5S)-2-tert-butylimino-4-oxo-1,3-thiazolidin-5-yl]-N-(3-chloro-2-methylphenyl)acetamide
CID 135691951
N-(3-chloro-2-methylphenyl)-2-[(2E,5S)-4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 135618405
N-(3-chloro-2-methylphenyl)-2-[(5R)-2-(3-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135691582
N-(3-chloro-2-methylphenyl)-2-[(5S)-2-(2-ethyl-6-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135704885
N-(3-chloro-2-methylphenyl)-2-[(2Z)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135736524
N-(3-chloro-2-methylphenyl)-2-[(2Z,5R)-2-[(Z)-(2,4-dichlorophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135913114
2-[(5R)-2-(3-methylbutylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-phenoxyphenyl)acetamide
CID 135691753
2-[(5R)-2-(2-methylpropylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-(2,4,5-trichlorophenyl)acetamide
CID 135775069
2-[(5S)-2-[(2S)-butan-2-yl]imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2-chlorophenyl)acetamide
CID 135774989

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-[(5S)-2-(3-methylbutylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-[(5S)-2-(3-methylbutylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide (CID 135691749) is N-(3-chloro-2-methylphenyl)-2-[(5S)-2-(3-methylbutylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-[(5S)-2-(3-methylbutylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-[(5S)-2-(3-methylbutylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide is Cc1c(Cl)cccc1NC(=O)C[C@@H]1S/C(=N/CCC(C)C)NC1=O.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-[(5S)-2-(3-methylbutylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is MQLPSZOKYQEHOO-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H22ClN3O2S/c1-10(2)7-8-19-17-21-16(23)14(24-17)9-15(22)20-13-6-4-5-12(18)11(13)3/h4-6,10,14H,7-9H2,1-3H3,(H,20,22)(H,19,21,23)/t14-/m0/s1.
What are the key properties of N-(3-chloro-2-methylphenyl)-2-[(5S)-2-(3-methylbutylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide?
N-(3-chloro-2-methylphenyl)-2-[(5S)-2-(3-methylbutylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 367.90 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-[(5S)-2-(3-methylbutylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 135691749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).