N-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-[(3-fluorophenyl)methyl]formamide

C19H26FN3OS — CID 87365139

IUPACN-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-[(3-fluorophenyl)methyl]formamide
SMILESCN1/C(=N/C2CCCCCC2)SCC1N(C=O)Cc1cccc(F)c1
InChIInChI=1S/C19H26FN3OS/c1-22-18(23(14-24)12-15-7-6-8-16(20)11-15)13-25-19(22)21-17-9-4-2-3-5-10-17/h6-8,11,14,17-18H,2-5,9-10,12-13H2,1H3/b21-19-
InChIKeyTWXKRKMUUSMRGO-VZCXRCSSSA-N
MW363.50 g/mol
LogP3.87
Rot. Bonds5

About N-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-[(3-fluorophenyl)methyl]formamide

N-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-[(3-fluorophenyl)methyl]formamide (PubChem CID 87365139) has the molecular formula C19H26FN3OS and a molecular weight of 363.50 g/mol. Its IUPAC name is N-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-[(3-fluorophenyl)methyl]formamide.

Molecular Properties

Compound NameN-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-[(3-fluorophenyl)methyl]formamide
PubChem CID87365139
Molecular FormulaC19H26FN3OS
Molecular Weight363.50 g/mol
Exact Mass363.18
IUPAC NameN-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-[(3-fluorophenyl)methyl]formamide
SMILESCN1/C(=N/C2CCCCCC2)SCC1N(C=O)Cc1cccc(F)c1
InChIInChI=1S/C19H26FN3OS/c1-22-18(23(14-24)12-15-7-6-8-16(20)11-15)13-25-19(22)21-17-9-4-2-3-5-10-17/h6-8,11,14,17-18H,2-5,9-10,12-13H2,1H3/b21-19-
InChIKeyTWXKRKMUUSMRGO-VZCXRCSSSA-N
XLogP3.87
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(tert-Butyl)-6-(ethylthio)-1-(2,4,5-trifluorobenzyl)-1,3,5-triazine-2,4(1H,3H)-dione
CID 164674893
6-(ethylthio)-1-(4-fluorbenzyl)-3-isopropyl-1,3,5-triazine-2,4(1H,3H)-dion
CID 67994499
N-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]formamide;hydrobromide
CID 87365137
N-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]formamide
CID 87365138
1-(Ethylsulfanylmethyl)-1-[(4-fluorophenyl)methyl]-3-(methylidenecarbamoyl)-3-propan-2-ylurea
CID 144039306
3-Tert-butyl-6-ethylsulfanyl-1-[(4-fluorophenyl)methyl]-1,3,5-triazine-2,4-dione
CID 168073812
3-Tert-butyl-6-ethylsulfanyl-1-[(3,4,5-trifluorophenyl)methyl]-1,3,5-triazine-2,4-dione
CID 168120723
3-Butyl-6-ethylsulfanyl-1-[(2,4,5-trifluorophenyl)methyl]-1,3,5-triazine-2,4-dione
CID 175504933
3-Tert-butyl-1-[(3,5-difluorophenyl)methyl]-6-ethylsulfanyl-1,3,5-triazine-2,4-dione
CID 176624907
3-Tert-butyl-1-[(3,4-difluorophenyl)methyl]-6-ethylsulfanyl-1,3,5-triazine-2,4-dione
CID 176624917
3-Benzyl-1-(4-fluorobenzyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea
CID 16764099
3-benzyl-1-[(4-fluorophenyl)methyl]-1-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]urea
CID 40454691

Frequently Asked Questions

What is the IUPAC name of N-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-[(3-fluorophenyl)methyl]formamide?
The IUPAC name of N-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-[(3-fluorophenyl)methyl]formamide (CID 87365139) is N-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-[(3-fluorophenyl)methyl]formamide.
What is the SMILES notation for N-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-[(3-fluorophenyl)methyl]formamide?
The canonical SMILES for N-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-[(3-fluorophenyl)methyl]formamide is CN1/C(=N/C2CCCCCC2)SCC1N(C=O)Cc1cccc(F)c1.
What is the InChIKey of N-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-[(3-fluorophenyl)methyl]formamide?
The InChIKey is TWXKRKMUUSMRGO-VZCXRCSSSA-N. The full InChI is InChI=1S/C19H26FN3OS/c1-22-18(23(14-24)12-15-7-6-8-16(20)11-15)13-25-19(22)21-17-9-4-2-3-5-10-17/h6-8,11,14,17-18H,2-5,9-10,12-13H2,1H3/b21-19-.
What are the key properties of N-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-[(3-fluorophenyl)methyl]formamide?
N-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-[(3-fluorophenyl)methyl]formamide has a molecular weight of 363.50 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-[(3-fluorophenyl)methyl]formamide is sourced from PubChem (CID 87365139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).