2-cycloheptylimino-3-methyl-N-(4-phenoxyphenyl)-1,3-thiazolidine-4-carboxamide

C24H29N3O2S — CID 140532175

IUPAC2-cycloheptylimino-3-methyl-N-(4-phenoxyphenyl)-1,3-thiazolidine-4-carboxamide
SMILESCN1/C(=N/C2CCCCCC2)SCC1C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C24H29N3O2S/c1-27-22(17-30-24(27)26-18-9-5-2-3-6-10-18)23(28)25-19-13-15-21(16-14-19)29-20-11-7-4-8-12-20/h4,7-8,11-16,18,22H,2-3,5-6,9-10,17H2,1H3,(H,25,28)/b26-24-
InChIKeyPSXKQHNDVZRAIK-LCUIJRPUSA-N
MW423.58 g/mol
LogP5.54
Rot. Bonds5

About 2-cycloheptylimino-3-methyl-N-(4-phenoxyphenyl)-1,3-thiazolidine-4-carboxamide

2-cycloheptylimino-3-methyl-N-(4-phenoxyphenyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 140532175) has the molecular formula C24H29N3O2S and a molecular weight of 423.58 g/mol. Its IUPAC name is 2-cycloheptylimino-3-methyl-N-(4-phenoxyphenyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name2-cycloheptylimino-3-methyl-N-(4-phenoxyphenyl)-1,3-thiazolidine-4-carboxamide
PubChem CID140532175
Molecular FormulaC24H29N3O2S
Molecular Weight423.58 g/mol
Exact Mass423.20
IUPAC Name2-cycloheptylimino-3-methyl-N-(4-phenoxyphenyl)-1,3-thiazolidine-4-carboxamide
SMILESCN1/C(=N/C2CCCCCC2)SCC1C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C24H29N3O2S/c1-27-22(17-30-24(27)26-18-9-5-2-3-6-10-18)23(28)25-19-13-15-21(16-14-19)29-20-11-7-4-8-12-20/h4,7-8,11-16,18,22H,2-3,5-6,9-10,17H2,1H3,(H,25,28)/b26-24-
InChIKeyPSXKQHNDVZRAIK-LCUIJRPUSA-N
XLogP5.54
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.58
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-phenoxyphenyl)acetamide
CID 67346202
2-cycloheptylimino-N-(3,4-difluorophenyl)-3-methyl-1,3-thiazolidine-4-carboxamide
CID 140532192
2-(2-cyclohexylimino-3-propyl-1,3-thiazolidin-4-yl)-N-(4-phenoxyphenyl)acetamide;hydrochloride
CID 67351067
N-(5-chloro-2-fluorophenyl)-2-cycloheptylimino-3-methyl-1,3-thiazolidine-4-carboxamide
CID 140532173
2-cycloheptylimino-N-[(3-fluorophenyl)methyl]-3-methyl-1,3-thiazolidine-4-carboxamide
CID 140532184
2-(2-cyclohexylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-methylphenyl)acetamide
CID 67348533
N-(3-cyclohexyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-phenoxyphenyl)acetamide
CID 67348424
1-methylsulfonyl-N-(4-phenoxyphenyl)pyrrolidine-2-carboxamide
CID 17412915
2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-ethylphenyl)acetamide
CID 67347610
N-(3-butyl-2-cyclohexylimino-1,3-thiazolidin-4-yl)-N-(4-phenoxyphenyl)acetamide;hydrochloride
CID 67350050
2-cyclohexyl-N-(4-phenoxyphenyl)acetamide
CID 806029
tert-butyl (2S)-2-[(4-phenoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 70174711

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptylimino-3-methyl-N-(4-phenoxyphenyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 2-cycloheptylimino-3-methyl-N-(4-phenoxyphenyl)-1,3-thiazolidine-4-carboxamide (CID 140532175) is 2-cycloheptylimino-3-methyl-N-(4-phenoxyphenyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 2-cycloheptylimino-3-methyl-N-(4-phenoxyphenyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 2-cycloheptylimino-3-methyl-N-(4-phenoxyphenyl)-1,3-thiazolidine-4-carboxamide is CN1/C(=N/C2CCCCCC2)SCC1C(=O)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-cycloheptylimino-3-methyl-N-(4-phenoxyphenyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is PSXKQHNDVZRAIK-LCUIJRPUSA-N. The full InChI is InChI=1S/C24H29N3O2S/c1-27-22(17-30-24(27)26-18-9-5-2-3-6-10-18)23(28)25-19-13-15-21(16-14-19)29-20-11-7-4-8-12-20/h4,7-8,11-16,18,22H,2-3,5-6,9-10,17H2,1H3,(H,25,28)/b26-24-.
What are the key properties of 2-cycloheptylimino-3-methyl-N-(4-phenoxyphenyl)-1,3-thiazolidine-4-carboxamide?
2-cycloheptylimino-3-methyl-N-(4-phenoxyphenyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 423.58 g/mol, XLogP of 5.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptylimino-3-methyl-N-(4-phenoxyphenyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 140532175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).