2-cycloheptylimino-N-[(3-fluorophenyl)methyl]-3-methyl-1,3-thiazolidine-4-carboxamide

C19H26FN3OS — CID 140532184

IUPAC2-cycloheptylimino-N-[(3-fluorophenyl)methyl]-3-methyl-1,3-thiazolidine-4-carboxamide
SMILESCN1/C(=N/C2CCCCCC2)SCC1C(=O)NCc1cccc(F)c1
InChIInChI=1S/C19H26FN3OS/c1-23-17(18(24)21-12-14-7-6-8-15(20)11-14)13-25-19(23)22-16-9-4-2-3-5-10-16/h6-8,11,16-17H,2-5,9-10,12-13H2,1H3,(H,21,24)/b22-19-
InChIKeyLBVCVAHTHYVDKJ-QOCHGBHMSA-N
MW363.50 g/mol
LogP3.57
Rot. Bonds4

About 2-cycloheptylimino-N-[(3-fluorophenyl)methyl]-3-methyl-1,3-thiazolidine-4-carboxamide

2-cycloheptylimino-N-[(3-fluorophenyl)methyl]-3-methyl-1,3-thiazolidine-4-carboxamide (PubChem CID 140532184) has the molecular formula C19H26FN3OS and a molecular weight of 363.50 g/mol. Its IUPAC name is 2-cycloheptylimino-N-[(3-fluorophenyl)methyl]-3-methyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name2-cycloheptylimino-N-[(3-fluorophenyl)methyl]-3-methyl-1,3-thiazolidine-4-carboxamide
PubChem CID140532184
Molecular FormulaC19H26FN3OS
Molecular Weight363.50 g/mol
Exact Mass363.18
IUPAC Name2-cycloheptylimino-N-[(3-fluorophenyl)methyl]-3-methyl-1,3-thiazolidine-4-carboxamide
SMILESCN1/C(=N/C2CCCCCC2)SCC1C(=O)NCc1cccc(F)c1
InChIInChI=1S/C19H26FN3OS/c1-23-17(18(24)21-12-14-7-6-8-15(20)11-14)13-25-19(23)22-16-9-4-2-3-5-10-16/h6-8,11,16-17H,2-5,9-10,12-13H2,1H3,(H,21,24)/b22-19-
InChIKeyLBVCVAHTHYVDKJ-QOCHGBHMSA-N
XLogP3.57
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 53.57
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-cycloheptylimino-3-methyl-N-(4-phenoxyphenyl)-1,3-thiazolidine-4-carboxamide
CID 140532175
tert-butyl 2-[(3-fluorophenyl)methylcarbamoyl]piperidine-1-carboxylate
CID 10544841
N-[(3-fluorophenyl)methyl]-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide
CID 170578293
N-[(3-fluorophenyl)methyl]dithiane-3-carboxamide
CID 167751774
(3S)-1-ethylsulfonyl-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 94785162
2-ethyl-3-[(3-fluorophenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63781948
4-(cyclopentanecarbonyl)-N-[(3-fluorophenyl)methyl]-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 42882209
(2S)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-methylpyrrolidine-2-carboxamide
CID 152504880
cis-(1S,3R)-3-[(3-fluorophenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 124552932
2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)-N-(4-ethylphenyl)acetamide
CID 67347610
N-[(3,4-difluorophenyl)methyl]-1-methylazepane-2-carboxamide
CID 72877122
N-(2-cyclohexylimino-3,5-dimethyl-1,3-thiazolidin-4-yl)-N-(3-fluorophenyl)acetamide
CID 67351269

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptylimino-N-[(3-fluorophenyl)methyl]-3-methyl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 2-cycloheptylimino-N-[(3-fluorophenyl)methyl]-3-methyl-1,3-thiazolidine-4-carboxamide (CID 140532184) is 2-cycloheptylimino-N-[(3-fluorophenyl)methyl]-3-methyl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 2-cycloheptylimino-N-[(3-fluorophenyl)methyl]-3-methyl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 2-cycloheptylimino-N-[(3-fluorophenyl)methyl]-3-methyl-1,3-thiazolidine-4-carboxamide is CN1/C(=N/C2CCCCCC2)SCC1C(=O)NCc1cccc(F)c1.
What is the InChIKey of 2-cycloheptylimino-N-[(3-fluorophenyl)methyl]-3-methyl-1,3-thiazolidine-4-carboxamide?
The InChIKey is LBVCVAHTHYVDKJ-QOCHGBHMSA-N. The full InChI is InChI=1S/C19H26FN3OS/c1-23-17(18(24)21-12-14-7-6-8-15(20)11-14)13-25-19(23)22-16-9-4-2-3-5-10-16/h6-8,11,16-17H,2-5,9-10,12-13H2,1H3,(H,21,24)/b22-19-.
What are the key properties of 2-cycloheptylimino-N-[(3-fluorophenyl)methyl]-3-methyl-1,3-thiazolidine-4-carboxamide?
2-cycloheptylimino-N-[(3-fluorophenyl)methyl]-3-methyl-1,3-thiazolidine-4-carboxamide has a molecular weight of 363.50 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptylimino-N-[(3-fluorophenyl)methyl]-3-methyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 140532184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).