N-(1-ethyltriazol-4-yl)-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carboxamide

C12H15F3N8OS — CID 72891903

IUPACN-(1-ethyltriazol-4-yl)-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carboxamide
SMILESCCn1cc(NC(=O)N2CCN(c3nnc(C(F)(F)F)s3)CC2)nn1
InChIInChI=1S/C12H15F3N8OS/c1-2-23-7-8(17-20-23)16-10(24)21-3-5-22(6-4-21)11-19-18-9(25-11)12(13,14)15/h7H,2-6H2,1H3,(H,16,24)
InChIKeyJWLPYZDORWSMLI-UHFFFAOYSA-N
MW376.37 g/mol
LogP1.52
Rot. Bonds3

About N-(1-ethyltriazol-4-yl)-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carboxamide

N-(1-ethyltriazol-4-yl)-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carboxamide (PubChem CID 72891903) has the molecular formula C12H15F3N8OS and a molecular weight of 376.37 g/mol. Its IUPAC name is N-(1-ethyltriazol-4-yl)-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(1-ethyltriazol-4-yl)-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carboxamide
PubChem CID72891903
Molecular FormulaC12H15F3N8OS
Molecular Weight376.37 g/mol
Exact Mass376.10
IUPAC NameN-(1-ethyltriazol-4-yl)-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carboxamide
SMILESCCn1cc(NC(=O)N2CCN(c3nnc(C(F)(F)F)s3)CC2)nn1
InChIInChI=1S/C12H15F3N8OS/c1-2-23-7-8(17-20-23)16-10(24)21-3-5-22(6-4-21)11-19-18-9(25-11)12(13,14)15/h7H,2-6H2,1H3,(H,16,24)
InChIKeyJWLPYZDORWSMLI-UHFFFAOYSA-N
XLogP1.52
TPSA92.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(1-ethyltriazol-4-yl)-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-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-ethyltriazol-4-yl)-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carboxamide?
The IUPAC name of N-(1-ethyltriazol-4-yl)-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carboxamide (CID 72891903) is N-(1-ethyltriazol-4-yl)-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carboxamide.
What is the SMILES notation for N-(1-ethyltriazol-4-yl)-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carboxamide?
The canonical SMILES for N-(1-ethyltriazol-4-yl)-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carboxamide is CCn1cc(NC(=O)N2CCN(c3nnc(C(F)(F)F)s3)CC2)nn1.
What is the InChIKey of N-(1-ethyltriazol-4-yl)-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carboxamide?
The InChIKey is JWLPYZDORWSMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N8OS/c1-2-23-7-8(17-20-23)16-10(24)21-3-5-22(6-4-21)11-19-18-9(25-11)12(13,14)15/h7H,2-6H2,1H3,(H,16,24).
What are the key properties of N-(1-ethyltriazol-4-yl)-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carboxamide?
N-(1-ethyltriazol-4-yl)-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carboxamide has a molecular weight of 376.37 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyltriazol-4-yl)-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carboxamide is sourced from PubChem (CID 72891903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).