N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-4-(trifluoromethyl)piperidine-1-carboxamide

C15H20F3N3OS — CID 166236601

IUPACN-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-4-(trifluoromethyl)piperidine-1-carboxamide
SMILESCC(NC(=O)N1CCC(C(F)(F)F)CC1)c1nc2c(s1)CCC2
InChIInChI=1S/C15H20F3N3OS/c1-9(13-20-11-3-2-4-12(11)23-13)19-14(22)21-7-5-10(6-8-21)15(16,17)18/h9-10H,2-8H2,1H3,(H,19,22)
InChIKeyVQIYJNXIMDVJCW-UHFFFAOYSA-N
MW347.41 g/mol
LogP3.68
Rot. Bonds2

About N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-4-(trifluoromethyl)piperidine-1-carboxamide

N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-4-(trifluoromethyl)piperidine-1-carboxamide (PubChem CID 166236601) has the molecular formula C15H20F3N3OS and a molecular weight of 347.41 g/mol. Its IUPAC name is N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-4-(trifluoromethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-4-(trifluoromethyl)piperidine-1-carboxamide
PubChem CID166236601
Molecular FormulaC15H20F3N3OS
Molecular Weight347.41 g/mol
Exact Mass347.13
IUPAC NameN-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-4-(trifluoromethyl)piperidine-1-carboxamide
SMILESCC(NC(=O)N1CCC(C(F)(F)F)CC1)c1nc2c(s1)CCC2
InChIInChI=1S/C15H20F3N3OS/c1-9(13-20-11-3-2-4-12(11)23-13)19-14(22)21-7-5-10(6-8-21)15(16,17)18/h9-10H,2-8H2,1H3,(H,19,22)
InChIKeyVQIYJNXIMDVJCW-UHFFFAOYSA-N
XLogP3.68
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-4-(trifluoromethyl)piperidine-1-carboxamide 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 N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-4-(trifluoromethyl)piperidine-1-carboxamide?
The IUPAC name of N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-4-(trifluoromethyl)piperidine-1-carboxamide (CID 166236601) is N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-4-(trifluoromethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-4-(trifluoromethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-4-(trifluoromethyl)piperidine-1-carboxamide is CC(NC(=O)N1CCC(C(F)(F)F)CC1)c1nc2c(s1)CCC2.
What is the InChIKey of N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-4-(trifluoromethyl)piperidine-1-carboxamide?
The InChIKey is VQIYJNXIMDVJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3OS/c1-9(13-20-11-3-2-4-12(11)23-13)19-14(22)21-7-5-10(6-8-21)15(16,17)18/h9-10H,2-8H2,1H3,(H,19,22).
What are the key properties of N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-4-(trifluoromethyl)piperidine-1-carboxamide?
N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-4-(trifluoromethyl)piperidine-1-carboxamide has a molecular weight of 347.41 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-4-(trifluoromethyl)piperidine-1-carboxamide is sourced from PubChem (CID 166236601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).