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

C17H28F3N3OS — CID 155653308

IUPAC(4-aminoazepan-1-yl)-[2-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazolidin-5-yl]methanone
SMILESNC1CCCN(C(=O)C2CNC(C3CCC(C(F)(F)F)CC3)S2)CC1
InChIInChI=1S/C17H28F3N3OS/c18-17(19,20)12-5-3-11(4-6-12)15-22-10-14(25-15)16(24)23-8-1-2-13(21)7-9-23/h11-15,22H,1-10,21H2
InChIKeyUJGGAKBKFBYWCU-UHFFFAOYSA-N
MW379.49 g/mol
LogP2.73
Rot. Bonds2

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

(4-aminoazepan-1-yl)-[2-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazolidin-5-yl]methanone (PubChem CID 155653308) has the molecular formula C17H28F3N3OS and a molecular weight of 379.49 g/mol. Its IUPAC name is (4-aminoazepan-1-yl)-[2-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazolidin-5-yl]methanone.

Molecular Properties

Compound Name(4-aminoazepan-1-yl)-[2-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazolidin-5-yl]methanone
PubChem CID155653308
Molecular FormulaC17H28F3N3OS
Molecular Weight379.49 g/mol
Exact Mass379.19
IUPAC Name(4-aminoazepan-1-yl)-[2-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazolidin-5-yl]methanone
SMILESNC1CCCN(C(=O)C2CNC(C3CCC(C(F)(F)F)CC3)S2)CC1
InChIInChI=1S/C17H28F3N3OS/c18-17(19,20)12-5-3-11(4-6-12)15-22-10-14(25-15)16(24)23-8-1-2-13(21)7-9-23/h11-15,22H,1-10,21H2
InChIKeyUJGGAKBKFBYWCU-UHFFFAOYSA-N
XLogP2.73
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4-aminoazepan-1-yl)-[2-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazolidin-5-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-aminoazepan-1-yl)-[2-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazolidin-5-yl]methanone?
The IUPAC name of (4-aminoazepan-1-yl)-[2-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazolidin-5-yl]methanone (CID 155653308) is (4-aminoazepan-1-yl)-[2-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazolidin-5-yl]methanone.
What is the SMILES notation for (4-aminoazepan-1-yl)-[2-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazolidin-5-yl]methanone?
The canonical SMILES for (4-aminoazepan-1-yl)-[2-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazolidin-5-yl]methanone is NC1CCCN(C(=O)C2CNC(C3CCC(C(F)(F)F)CC3)S2)CC1.
What is the InChIKey of (4-aminoazepan-1-yl)-[2-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazolidin-5-yl]methanone?
The InChIKey is UJGGAKBKFBYWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28F3N3OS/c18-17(19,20)12-5-3-11(4-6-12)15-22-10-14(25-15)16(24)23-8-1-2-13(21)7-9-23/h11-15,22H,1-10,21H2.
What are the key properties of (4-aminoazepan-1-yl)-[2-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazolidin-5-yl]methanone?
(4-aminoazepan-1-yl)-[2-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazolidin-5-yl]methanone has a molecular weight of 379.49 g/mol, XLogP of 2.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminoazepan-1-yl)-[2-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazolidin-5-yl]methanone is sourced from PubChem (CID 155653308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).