[(3R)-3-aminopyrrolidin-1-yl]-[4-methyl-2-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazolidin-5-yl]methanone

C16H26F3N3OS — CID 155653279

IUPAC[(3R)-3-aminopyrrolidin-1-yl]-[4-methyl-2-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazolidin-5-yl]methanone
SMILESCC1NC(C2CCC(C(F)(F)F)CC2)SC1C(=O)N1CC[C@@H](N)C1
InChIInChI=1S/C16H26F3N3OS/c1-9-13(15(23)22-7-6-12(20)8-22)24-14(21-9)10-2-4-11(5-3-10)16(17,18)19/h9-14,21H,2-8,20H2,1H3/t9?,10?,11?,12-,13?,14?/m1/s1
InChIKeyULVNWCOMGNPECP-UOKCHTFLSA-N
MW365.47 g/mol
LogP2.33
Rot. Bonds2

About [(3R)-3-aminopyrrolidin-1-yl]-[4-methyl-2-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazolidin-5-yl]methanone

[(3R)-3-aminopyrrolidin-1-yl]-[4-methyl-2-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazolidin-5-yl]methanone (PubChem CID 155653279) has the molecular formula C16H26F3N3OS and a molecular weight of 365.47 g/mol. Its IUPAC name is [(3R)-3-aminopyrrolidin-1-yl]-[4-methyl-2-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazolidin-5-yl]methanone.

Molecular Properties

Compound Name[(3R)-3-aminopyrrolidin-1-yl]-[4-methyl-2-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazolidin-5-yl]methanone
PubChem CID155653279
Molecular FormulaC16H26F3N3OS
Molecular Weight365.47 g/mol
Exact Mass365.17
IUPAC Name[(3R)-3-aminopyrrolidin-1-yl]-[4-methyl-2-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazolidin-5-yl]methanone
SMILESCC1NC(C2CCC(C(F)(F)F)CC2)SC1C(=O)N1CC[C@@H](N)C1
InChIInChI=1S/C16H26F3N3OS/c1-9-13(15(23)22-7-6-12(20)8-22)24-14(21-9)10-2-4-11(5-3-10)16(17,18)19/h9-14,21H,2-8,20H2,1H3/t9?,10?,11?,12-,13?,14?/m1/s1
InChIKeyULVNWCOMGNPECP-UOKCHTFLSA-N
XLogP2.33
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(Aminomethyl)pyrrolidin-1-yl]-[2-(2-fluorocyclohexyl)-1,3-thiazolidin-4-yl]methanone
CID 155653300
(4-Aminoazepan-1-yl)-[2-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazolidin-5-yl]methanone
CID 155653308
[3-(Aminomethyl)pyrrolidin-1-yl]-[2-(2,4-dimethylcyclohexyl)-4-methyl-1,3-thiazolidin-5-yl]methanone
CID 146849054
3-acetyl-2-cyclohexyl-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide
CID 42744842

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-[4-methyl-2-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazolidin-5-yl]methanone?
The IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-[4-methyl-2-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazolidin-5-yl]methanone (CID 155653279) is [(3R)-3-aminopyrrolidin-1-yl]-[4-methyl-2-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazolidin-5-yl]methanone.
What is the SMILES notation for [(3R)-3-aminopyrrolidin-1-yl]-[4-methyl-2-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazolidin-5-yl]methanone?
The canonical SMILES for [(3R)-3-aminopyrrolidin-1-yl]-[4-methyl-2-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazolidin-5-yl]methanone is CC1NC(C2CCC(C(F)(F)F)CC2)SC1C(=O)N1CC[C@@H](N)C1.
What is the InChIKey of [(3R)-3-aminopyrrolidin-1-yl]-[4-methyl-2-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazolidin-5-yl]methanone?
The InChIKey is ULVNWCOMGNPECP-UOKCHTFLSA-N. The full InChI is InChI=1S/C16H26F3N3OS/c1-9-13(15(23)22-7-6-12(20)8-22)24-14(21-9)10-2-4-11(5-3-10)16(17,18)19/h9-14,21H,2-8,20H2,1H3/t9?,10?,11?,12-,13?,14?/m1/s1.
What are the key properties of [(3R)-3-aminopyrrolidin-1-yl]-[4-methyl-2-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazolidin-5-yl]methanone?
[(3R)-3-aminopyrrolidin-1-yl]-[4-methyl-2-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazolidin-5-yl]methanone has a molecular weight of 365.47 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-aminopyrrolidin-1-yl]-[4-methyl-2-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazolidin-5-yl]methanone is sourced from PubChem (CID 155653279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).