[3-(aminomethyl)pyrrolidin-1-yl]-[2-(2-fluorocyclohexyl)-1,3-thiazolidin-4-yl]methanone

C15H26FN3OS — CID 155653300

IUPAC[3-(aminomethyl)pyrrolidin-1-yl]-[2-(2-fluorocyclohexyl)-1,3-thiazolidin-4-yl]methanone
SMILESNCC1CCN(C(=O)C2CSC(C3CCCCC3F)N2)C1
InChIInChI=1S/C15H26FN3OS/c16-12-4-2-1-3-11(12)14-18-13(9-21-14)15(20)19-6-5-10(7-17)8-19/h10-14,18H,1-9,17H2
InChIKeyRFBOPWSIFGNEMA-UHFFFAOYSA-N
MW315.46 g/mol
LogP1.35
Rot. Bonds3

About [3-(aminomethyl)pyrrolidin-1-yl]-[2-(2-fluorocyclohexyl)-1,3-thiazolidin-4-yl]methanone

[3-(aminomethyl)pyrrolidin-1-yl]-[2-(2-fluorocyclohexyl)-1,3-thiazolidin-4-yl]methanone (PubChem CID 155653300) has the molecular formula C15H26FN3OS and a molecular weight of 315.46 g/mol. Its IUPAC name is [3-(aminomethyl)pyrrolidin-1-yl]-[2-(2-fluorocyclohexyl)-1,3-thiazolidin-4-yl]methanone.

Molecular Properties

Compound Name[3-(aminomethyl)pyrrolidin-1-yl]-[2-(2-fluorocyclohexyl)-1,3-thiazolidin-4-yl]methanone
PubChem CID155653300
Molecular FormulaC15H26FN3OS
Molecular Weight315.46 g/mol
Exact Mass315.18
IUPAC Name[3-(aminomethyl)pyrrolidin-1-yl]-[2-(2-fluorocyclohexyl)-1,3-thiazolidin-4-yl]methanone
SMILESNCC1CCN(C(=O)C2CSC(C3CCCCC3F)N2)C1
InChIInChI=1S/C15H26FN3OS/c16-12-4-2-1-3-11(12)14-18-13(9-21-14)15(20)19-6-5-10(7-17)8-19/h10-14,18H,1-9,17H2
InChIKeyRFBOPWSIFGNEMA-UHFFFAOYSA-N
XLogP1.35
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-2-cyclohexyl-N-octadecyl-1,3-thiazolidine-4-carboxamide
CID 44399919
N-(2-aminoethyl)-5-(3-fluorocyclohexyl)-1,3-thiazolidine-4-carboxamide
CID 140478929
[(3R)-3-aminopyrrolidin-1-yl]-[4-methyl-2-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazolidin-5-yl]methanone
CID 155653279
N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazolidine-4-carboxamide
CID 43711820
N-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazolidine-4-carboxamide
CID 43712690
N-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazolidine-4-carboxamide
CID 43712749
3-propanoyl-N-[3-(trifluoromethyl)cyclohexyl]-1,3-thiazolidine-4-carboxamide
CID 53554537
3-propanoyl-N-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazolidine-4-carboxamide
CID 53583346
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazolidine-4-carboxamide
CID 60856335
(4S)-3-propanoyl-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]-1,3-thiazolidine-4-carboxamide
CID 95273194
(4S)-3-propanoyl-N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]-1,3-thiazolidine-4-carboxamide
CID 95273196
(4S)-3-propanoyl-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]-1,3-thiazolidine-4-carboxamide
CID 95302544

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)pyrrolidin-1-yl]-[2-(2-fluorocyclohexyl)-1,3-thiazolidin-4-yl]methanone?
The IUPAC name of [3-(aminomethyl)pyrrolidin-1-yl]-[2-(2-fluorocyclohexyl)-1,3-thiazolidin-4-yl]methanone (CID 155653300) is [3-(aminomethyl)pyrrolidin-1-yl]-[2-(2-fluorocyclohexyl)-1,3-thiazolidin-4-yl]methanone.
What is the SMILES notation for [3-(aminomethyl)pyrrolidin-1-yl]-[2-(2-fluorocyclohexyl)-1,3-thiazolidin-4-yl]methanone?
The canonical SMILES for [3-(aminomethyl)pyrrolidin-1-yl]-[2-(2-fluorocyclohexyl)-1,3-thiazolidin-4-yl]methanone is NCC1CCN(C(=O)C2CSC(C3CCCCC3F)N2)C1.
What is the InChIKey of [3-(aminomethyl)pyrrolidin-1-yl]-[2-(2-fluorocyclohexyl)-1,3-thiazolidin-4-yl]methanone?
The InChIKey is RFBOPWSIFGNEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26FN3OS/c16-12-4-2-1-3-11(12)14-18-13(9-21-14)15(20)19-6-5-10(7-17)8-19/h10-14,18H,1-9,17H2.
What are the key properties of [3-(aminomethyl)pyrrolidin-1-yl]-[2-(2-fluorocyclohexyl)-1,3-thiazolidin-4-yl]methanone?
[3-(aminomethyl)pyrrolidin-1-yl]-[2-(2-fluorocyclohexyl)-1,3-thiazolidin-4-yl]methanone has a molecular weight of 315.46 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)pyrrolidin-1-yl]-[2-(2-fluorocyclohexyl)-1,3-thiazolidin-4-yl]methanone is sourced from PubChem (CID 155653300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).