N-[2-[4-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]-1,3-thiazol-4-yl]formamide

C15H17F3N6O2S — CID 175275697

IUPACN-[2-[4-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]-1,3-thiazol-4-yl]formamide
SMILESCc1cc(C(F)(F)F)nn1CC(=O)N1CCN(c2nc(NC=O)cs2)CC1
InChIInChI=1S/C15H17F3N6O2S/c1-10-6-11(15(16,17)18)21-24(10)7-13(26)22-2-4-23(5-3-22)14-20-12(8-27-14)19-9-25/h6,8-9H,2-5,7H2,1H3,(H,19,25)
InChIKeyLCIQYVBPVTVLHY-UHFFFAOYSA-N
MW402.40 g/mol
LogP1.58
Rot. Bonds5

About N-[2-[4-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]-1,3-thiazol-4-yl]formamide

N-[2-[4-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]-1,3-thiazol-4-yl]formamide (PubChem CID 175275697) has the molecular formula C15H17F3N6O2S and a molecular weight of 402.40 g/mol. Its IUPAC name is N-[2-[4-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]-1,3-thiazol-4-yl]formamide.

Molecular Properties

Compound NameN-[2-[4-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]-1,3-thiazol-4-yl]formamide
PubChem CID175275697
Molecular FormulaC15H17F3N6O2S
Molecular Weight402.40 g/mol
Exact Mass402.11
IUPAC NameN-[2-[4-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]-1,3-thiazol-4-yl]formamide
SMILESCc1cc(C(F)(F)F)nn1CC(=O)N1CCN(c2nc(NC=O)cs2)CC1
InChIInChI=1S/C15H17F3N6O2S/c1-10-6-11(15(16,17)18)21-24(10)7-13(26)22-2-4-23(5-3-22)14-20-12(8-27-14)19-9-25/h6,8-9H,2-5,7H2,1H3,(H,19,25)
InChIKeyLCIQYVBPVTVLHY-UHFFFAOYSA-N
XLogP1.58
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.40
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-[2-[4-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]-1,3-thiazol-4-yl]formamide 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-[2-[4-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]-1,3-thiazol-4-yl]formamide?
The IUPAC name of N-[2-[4-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]-1,3-thiazol-4-yl]formamide (CID 175275697) is N-[2-[4-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]-1,3-thiazol-4-yl]formamide.
What is the SMILES notation for N-[2-[4-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]-1,3-thiazol-4-yl]formamide?
The canonical SMILES for N-[2-[4-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]-1,3-thiazol-4-yl]formamide is Cc1cc(C(F)(F)F)nn1CC(=O)N1CCN(c2nc(NC=O)cs2)CC1.
What is the InChIKey of N-[2-[4-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]-1,3-thiazol-4-yl]formamide?
The InChIKey is LCIQYVBPVTVLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N6O2S/c1-10-6-11(15(16,17)18)21-24(10)7-13(26)22-2-4-23(5-3-22)14-20-12(8-27-14)19-9-25/h6,8-9H,2-5,7H2,1H3,(H,19,25).
What are the key properties of N-[2-[4-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]-1,3-thiazol-4-yl]formamide?
N-[2-[4-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]-1,3-thiazol-4-yl]formamide has a molecular weight of 402.40 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]-1,3-thiazol-4-yl]formamide is sourced from PubChem (CID 175275697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).