2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(2,4-difluorophenyl)acetamide

C19H25F2N3OS — CID 67346824

IUPAC2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(2,4-difluorophenyl)acetamide
SMILESCN1/C(=N/C2CCCCCC2)SCC1CC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C19H25F2N3OS/c1-24-15(11-18(25)23-17-9-8-13(20)10-16(17)21)12-26-19(24)22-14-6-4-2-3-5-7-14/h8-10,14-15H,2-7,11-12H2,1H3,(H,23,25)/b22-19-
InChIKeyRRVLBHQFYPAEJD-QOCHGBHMSA-N
MW381.49 g/mol
LogP4.42
Rot. Bonds4

About 2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(2,4-difluorophenyl)acetamide

2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(2,4-difluorophenyl)acetamide (PubChem CID 67346824) has the molecular formula C19H25F2N3OS and a molecular weight of 381.49 g/mol. Its IUPAC name is 2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(2,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(2,4-difluorophenyl)acetamide
PubChem CID67346824
Molecular FormulaC19H25F2N3OS
Molecular Weight381.49 g/mol
Exact Mass381.17
IUPAC Name2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(2,4-difluorophenyl)acetamide
SMILESCN1/C(=N/C2CCCCCC2)SCC1CC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C19H25F2N3OS/c1-24-15(11-18(25)23-17-9-8-13(20)10-16(17)21)12-26-19(24)22-14-6-4-2-3-5-7-14/h8-10,14-15H,2-7,11-12H2,1H3,(H,23,25)/b22-19-
InChIKeyRRVLBHQFYPAEJD-QOCHGBHMSA-N
XLogP4.42
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.49
LogP ≤ 54.42
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

2-[(2E)-2-(cyclohexylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135403874
1-(4-fluorophenyl)-2,5-dioxo-3-pyrrolidinyl N,N'-diethylimidothiocarbamate
CID 2840626
2-[(2Z)-3-ethyl-2-(ethylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 2998505
1-(4-Fluoro-phenyl)-5-oxo-pyrrolidine-3-carboxylic acid (4,5-dihydro-thiazol-2-yl)-amide
CID 3155569
N-(2-fluorophenyl)-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide
CID 3441571
2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(4-fluorophenyl)propanamide
CID 42739082
2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(4-fluorophenyl)butanamide
CID 42739160
N-{4-[(3-allyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]phenyl}acetamide
CID 2131730
2-(4,6-dioxo-1-propylpyrimidin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 4556144
2,5-dioxo-1-phenylpyrrolidin-3-yl N,N'-diethylcarbamimidothioate
CID 2833588
2-(4-oxo-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-5-yl)-N-phenylacetamide
CID 3151584
2-[(2Z)-3-ethyl-2-(ethylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 3245042

Frequently Asked Questions

What is the IUPAC name of 2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(2,4-difluorophenyl)acetamide?
The IUPAC name of 2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(2,4-difluorophenyl)acetamide (CID 67346824) is 2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(2,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(2,4-difluorophenyl)acetamide?
The canonical SMILES for 2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(2,4-difluorophenyl)acetamide is CN1/C(=N/C2CCCCCC2)SCC1CC(=O)Nc1ccc(F)cc1F.
What is the InChIKey of 2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(2,4-difluorophenyl)acetamide?
The InChIKey is RRVLBHQFYPAEJD-QOCHGBHMSA-N. The full InChI is InChI=1S/C19H25F2N3OS/c1-24-15(11-18(25)23-17-9-8-13(20)10-16(17)21)12-26-19(24)22-14-6-4-2-3-5-7-14/h8-10,14-15H,2-7,11-12H2,1H3,(H,23,25)/b22-19-.
What are the key properties of 2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(2,4-difluorophenyl)acetamide?
2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(2,4-difluorophenyl)acetamide has a molecular weight of 381.49 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(2,4-difluorophenyl)acetamide is sourced from PubChem (CID 67346824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).