N-(5-chloro-2-methoxyphenyl)-2-[(5R)-4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl]acetamide

C18H24ClN3O3S — CID 1225011

IUPACN-(5-chloro-2-methoxyphenyl)-2-[(5R)-4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)C[C@H]1S/C(=N\C(C)C)N(C(C)C)C1=O
InChIInChI=1S/C18H24ClN3O3S/c1-10(2)20-18-22(11(3)4)17(24)15(26-18)9-16(23)21-13-8-12(19)6-7-14(13)25-5/h6-8,10-11,15H,9H2,1-5H3,(H,21,23)/b20-18-/t15-/m1/s1
InChIKeyWCCMLEBYPQIAFD-MEUCICPISA-N
MW397.93 g/mol
LogP3.79
Rot. Bonds6

About N-(5-chloro-2-methoxyphenyl)-2-[(5R)-4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl]acetamide

N-(5-chloro-2-methoxyphenyl)-2-[(5R)-4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl]acetamide (PubChem CID 1225011) has the molecular formula C18H24ClN3O3S and a molecular weight of 397.93 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-[(5R)-4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-[(5R)-4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl]acetamide
PubChem CID1225011
Molecular FormulaC18H24ClN3O3S
Molecular Weight397.93 g/mol
Exact Mass397.12
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-[(5R)-4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)C[C@H]1S/C(=N\C(C)C)N(C(C)C)C1=O
InChIInChI=1S/C18H24ClN3O3S/c1-10(2)20-18-22(11(3)4)17(24)15(26-18)9-16(23)21-13-8-12(19)6-7-14(13)25-5/h6-8,10-11,15H,9H2,1-5H3,(H,21,23)/b20-18-/t15-/m1/s1
InChIKeyWCCMLEBYPQIAFD-MEUCICPISA-N
XLogP3.79
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.93
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-dibromophenyl)-2-(4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl)acetamide
CID 5226426
N-(5-chloro-2-methoxyphenyl)-2-[(5R)-2-cyclohexylimino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 1217522
N-(4-acetylphenyl)-2-(4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl)acetamide
CID 3591293
N-(3-chloro-4-cyanophenyl)-2-(4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl)acetamide
CID 5228905
N-(5-chloro-2,4-dimethoxyphenyl)-2-[(5R)-2-(5-chloro-2-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 41201265
N-(2-methoxyphenyl)-2-(4-oxo-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-5-yl)acetamide
CID 18892036
N-(5-chloro-2-methoxyphenyl)-2-[(5S)-2-(2-methylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide
CID 1217994
N-(5-chloro-2-methoxyphenyl)-2-[3-(furan-2-ylmethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 42993693
2-[2-(3-chlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 21368813
N-(5-chloro-2-methoxyphenyl)-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 16868728
2-(3-ethyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 21369010
2-[2-(4-chlorophenyl)imino-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethoxyphenyl)acetamide
CID 5051918

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[(5R)-4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[(5R)-4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl]acetamide (CID 1225011) is N-(5-chloro-2-methoxyphenyl)-2-[(5R)-4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-[(5R)-4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-[(5R)-4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl]acetamide is COc1ccc(Cl)cc1NC(=O)C[C@H]1S/C(=N\C(C)C)N(C(C)C)C1=O.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-[(5R)-4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is WCCMLEBYPQIAFD-MEUCICPISA-N. The full InChI is InChI=1S/C18H24ClN3O3S/c1-10(2)20-18-22(11(3)4)17(24)15(26-18)9-16(23)21-13-8-12(19)6-7-14(13)25-5/h6-8,10-11,15H,9H2,1-5H3,(H,21,23)/b20-18-/t15-/m1/s1.
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-[(5R)-4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl]acetamide?
N-(5-chloro-2-methoxyphenyl)-2-[(5R)-4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 397.93 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-[(5R)-4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 1225011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).