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

C14H18F3N3OS — CID 166255563

IUPACN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-4-(trifluoromethyl)piperidine-1-carboxamide
SMILESO=C(NCc1nc2c(s1)CCC2)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H18F3N3OS/c15-14(16,17)9-4-6-20(7-5-9)13(21)18-8-12-19-10-2-1-3-11(10)22-12/h9H,1-8H2,(H,18,21)
InChIKeyRDPIORZYDXVJPB-UHFFFAOYSA-N
MW333.38 g/mol
LogP3.12
Rot. Bonds2

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

N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-4-(trifluoromethyl)piperidine-1-carboxamide (PubChem CID 166255563) has the molecular formula C14H18F3N3OS and a molecular weight of 333.38 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-4-(trifluoromethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-4-(trifluoromethyl)piperidine-1-carboxamide
PubChem CID166255563
Molecular FormulaC14H18F3N3OS
Molecular Weight333.38 g/mol
Exact Mass333.11
IUPAC NameN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-4-(trifluoromethyl)piperidine-1-carboxamide
SMILESO=C(NCc1nc2c(s1)CCC2)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H18F3N3OS/c15-14(16,17)9-4-6-20(7-5-9)13(21)18-8-12-19-10-2-1-3-11(10)22-12/h9H,1-8H2,(H,18,21)
InChIKeyRDPIORZYDXVJPB-UHFFFAOYSA-N
XLogP3.12
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-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-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-4-(trifluoromethyl)piperidine-1-carboxamide?
The IUPAC name of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-4-(trifluoromethyl)piperidine-1-carboxamide (CID 166255563) is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-4-(trifluoromethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-4-(trifluoromethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-4-(trifluoromethyl)piperidine-1-carboxamide is O=C(NCc1nc2c(s1)CCC2)N1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-4-(trifluoromethyl)piperidine-1-carboxamide?
The InChIKey is RDPIORZYDXVJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3OS/c15-14(16,17)9-4-6-20(7-5-9)13(21)18-8-12-19-10-2-1-3-11(10)22-12/h9H,1-8H2,(H,18,21).
What are the key properties of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-4-(trifluoromethyl)piperidine-1-carboxamide?
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-4-(trifluoromethyl)piperidine-1-carboxamide has a molecular weight of 333.38 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-4-(trifluoromethyl)piperidine-1-carboxamide is sourced from PubChem (CID 166255563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).