4-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-[5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carboxamide

C14H16F5N7OS — CID 75428520

IUPAC4-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-[5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carboxamide
SMILESO=C(Nc1nnc(CC(F)(F)F)s1)N1CCN(Cc2nccn2C(F)F)CC1
InChIInChI=1S/C14H16F5N7OS/c15-11(16)26-2-1-20-9(26)8-24-3-5-25(6-4-24)13(27)21-12-23-22-10(28-12)7-14(17,18)19/h1-2,11H,3-8H2,(H,21,23,27)
InChIKeyKKZSCQZNCHUDBH-UHFFFAOYSA-N
MW425.39 g/mol
LogP2.58
Rot. Bonds5

About 4-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-[5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carboxamide

4-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-[5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carboxamide (PubChem CID 75428520) has the molecular formula C14H16F5N7OS and a molecular weight of 425.39 g/mol. Its IUPAC name is 4-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-[5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-[5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carboxamide
PubChem CID75428520
Molecular FormulaC14H16F5N7OS
Molecular Weight425.39 g/mol
Exact Mass425.11
IUPAC Name4-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-[5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carboxamide
SMILESO=C(Nc1nnc(CC(F)(F)F)s1)N1CCN(Cc2nccn2C(F)F)CC1
InChIInChI=1S/C14H16F5N7OS/c15-11(16)26-2-1-20-9(26)8-24-3-5-25(6-4-24)13(27)21-12-23-22-10(28-12)7-14(17,18)19/h1-2,11H,3-8H2,(H,21,23,27)
InChIKeyKKZSCQZNCHUDBH-UHFFFAOYSA-N
XLogP2.58
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.39
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-[5-(2,2,2-trifluoroethyl)-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 4-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-[5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carboxamide?
The IUPAC name of 4-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-[5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carboxamide (CID 75428520) is 4-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-[5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-[5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carboxamide?
The canonical SMILES for 4-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-[5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carboxamide is O=C(Nc1nnc(CC(F)(F)F)s1)N1CCN(Cc2nccn2C(F)F)CC1.
What is the InChIKey of 4-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-[5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carboxamide?
The InChIKey is KKZSCQZNCHUDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F5N7OS/c15-11(16)26-2-1-20-9(26)8-24-3-5-25(6-4-24)13(27)21-12-23-22-10(28-12)7-14(17,18)19/h1-2,11H,3-8H2,(H,21,23,27).
What are the key properties of 4-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-[5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carboxamide?
4-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-[5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carboxamide has a molecular weight of 425.39 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-[5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carboxamide is sourced from PubChem (CID 75428520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).