N-(4-chloro-2,5-dimethoxyphenyl)-2-[2-(cyclopentylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide

C18H21ClN4O4S — CID 135518483

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-2-[2-(cyclopentylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCOc1cc(NC(=O)CC2SC(=NN=C3CCCC3)NC2=O)c(OC)cc1Cl
InChIInChI=1S/C18H21ClN4O4S/c1-26-13-8-12(14(27-2)7-11(13)19)20-16(24)9-15-17(25)21-18(28-15)23-22-10-5-3-4-6-10/h7-8,15H,3-6,9H2,1-2H3,(H,20,24)(H,21,23,25)
InChIKeyYJFHOPOJJUWIPV-UHFFFAOYSA-N
MW424.91 g/mol
LogP3.20
Rot. Bonds6

About N-(4-chloro-2,5-dimethoxyphenyl)-2-[2-(cyclopentylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide

N-(4-chloro-2,5-dimethoxyphenyl)-2-[2-(cyclopentylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide (PubChem CID 135518483) has the molecular formula C18H21ClN4O4S and a molecular weight of 424.91 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-2-[2-(cyclopentylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-2-[2-(cyclopentylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide
PubChem CID135518483
Molecular FormulaC18H21ClN4O4S
Molecular Weight424.91 g/mol
Exact Mass424.10
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-2-[2-(cyclopentylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESCOc1cc(NC(=O)CC2SC(=NN=C3CCCC3)NC2=O)c(OC)cc1Cl
InChIInChI=1S/C18H21ClN4O4S/c1-26-13-8-12(14(27-2)7-11(13)19)20-16(24)9-15-17(25)21-18(28-15)23-22-10-5-3-4-6-10/h7-8,15H,3-6,9H2,1-2H3,(H,20,24)(H,21,23,25)
InChIKeyYJFHOPOJJUWIPV-UHFFFAOYSA-N
XLogP3.20
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.91
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-[(2E,5R)-2-(cycloheptylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135828423
2-[2-(cycloheptylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(2-methylphenyl)acetamide
CID 135521245
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(2E,5S)-2-(cyclohexylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135600068
2-[(2Z,5S)-2-(cyclopentylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-[3-[[2-[(2Z,5S)-2-(cyclopentylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetyl]amino]phenyl]acetamide
CID 136886862
N-(4-chloro-2,5-dimethoxyphenyl)-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 1080513
2-[(2E)-2-(cyclopentylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 135555691
2-[(2E,5R)-2-(cyclooctylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135589748
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[2-(2-methylpropylimino)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135535503
N-(3-acetylphenyl)-2-[2-(cyclooctylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135539235
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(5R)-2-[(2S)-1-methoxypropan-2-yl]imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135600152
2-[2-(cycloheptylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-iodophenyl)acetamide
CID 135532243
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(2E,5S)-4-oxo-2-(phenylhydrazinylidene)-1,3-thiazolidin-5-yl]acetamide
CID 135618439

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-2-[2-(cyclopentylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-2-[2-(cyclopentylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide (CID 135518483) is N-(4-chloro-2,5-dimethoxyphenyl)-2-[2-(cyclopentylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-2-[2-(cyclopentylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-2-[2-(cyclopentylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide is COc1cc(NC(=O)CC2SC(=NN=C3CCCC3)NC2=O)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-2-[2-(cyclopentylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is YJFHOPOJJUWIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O4S/c1-26-13-8-12(14(27-2)7-11(13)19)20-16(24)9-15-17(25)21-18(28-15)23-22-10-5-3-4-6-10/h7-8,15H,3-6,9H2,1-2H3,(H,20,24)(H,21,23,25).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-2-[2-(cyclopentylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide?
N-(4-chloro-2,5-dimethoxyphenyl)-2-[2-(cyclopentylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 424.91 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-2-[2-(cyclopentylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 135518483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).