N,N-dimethyl-2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,3-thiazole-4-carboxamide

C15H17F3N4OS — CID 58267578

IUPACN,N-dimethyl-2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESCN(C)C(=O)c1csc(Cn2nc(C(F)(F)F)c3c2CCCC3)n1
InChIInChI=1S/C15H17F3N4OS/c1-21(2)14(23)10-8-24-12(19-10)7-22-11-6-4-3-5-9(11)13(20-22)15(16,17)18/h8H,3-7H2,1-2H3
InChIKeyAUPWHCKNLKSRLD-UHFFFAOYSA-N
MW358.39 g/mol
LogP2.99
Rot. Bonds3

About N,N-dimethyl-2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,3-thiazole-4-carboxamide

N,N-dimethyl-2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 58267578) has the molecular formula C15H17F3N4OS and a molecular weight of 358.39 g/mol. Its IUPAC name is N,N-dimethyl-2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,3-thiazole-4-carboxamide
PubChem CID58267578
Molecular FormulaC15H17F3N4OS
Molecular Weight358.39 g/mol
Exact Mass358.11
IUPAC NameN,N-dimethyl-2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESCN(C)C(=O)c1csc(Cn2nc(C(F)(F)F)c3c2CCCC3)n1
InChIInChI=1S/C15H17F3N4OS/c1-21(2)14(23)10-8-24-12(19-10)7-22-11-6-4-3-5-9(11)13(20-22)15(16,17)18/h8H,3-7H2,1-2H3
InChIKeyAUPWHCKNLKSRLD-UHFFFAOYSA-N
XLogP2.99
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,N-dimethyl-2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,3-thiazole-4-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,N-dimethyl-2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N,N-dimethyl-2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,3-thiazole-4-carboxamide (CID 58267578) is N,N-dimethyl-2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N,N-dimethyl-2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N,N-dimethyl-2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,3-thiazole-4-carboxamide is CN(C)C(=O)c1csc(Cn2nc(C(F)(F)F)c3c2CCCC3)n1.
What is the InChIKey of N,N-dimethyl-2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is AUPWHCKNLKSRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4OS/c1-21(2)14(23)10-8-24-12(19-10)7-22-11-6-4-3-5-9(11)13(20-22)15(16,17)18/h8H,3-7H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,3-thiazole-4-carboxamide?
N,N-dimethyl-2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 358.39 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 58267578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).