N-cyclopropyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]-N-(3,5,5-trimethylcyclohexa-1,3-dien-1-yl)acetamide

C17H20F3N3O2S — CID 18326140

IUPACN-cyclopropyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]-N-(3,5,5-trimethylcyclohexa-1,3-dien-1-yl)acetamide
SMILESCC1=CC(C)(C)CC(N(C(=O)COc2nnc(C(F)(F)F)s2)C2CC2)=C1
InChIInChI=1S/C17H20F3N3O2S/c1-10-6-12(8-16(2,3)7-10)23(11-4-5-11)13(24)9-25-15-22-21-14(26-15)17(18,19)20/h6-7,11H,4-5,8-9H2,1-3H3
InChIKeySZZMXEMTNJZKNP-UHFFFAOYSA-N
MW387.43 g/mol
LogP4.19
Rot. Bonds5

About N-cyclopropyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]-N-(3,5,5-trimethylcyclohexa-1,3-dien-1-yl)acetamide

N-cyclopropyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]-N-(3,5,5-trimethylcyclohexa-1,3-dien-1-yl)acetamide (PubChem CID 18326140) has the molecular formula C17H20F3N3O2S and a molecular weight of 387.43 g/mol. Its IUPAC name is N-cyclopropyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]-N-(3,5,5-trimethylcyclohexa-1,3-dien-1-yl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]-N-(3,5,5-trimethylcyclohexa-1,3-dien-1-yl)acetamide
PubChem CID18326140
Molecular FormulaC17H20F3N3O2S
Molecular Weight387.43 g/mol
Exact Mass387.12
IUPAC NameN-cyclopropyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]-N-(3,5,5-trimethylcyclohexa-1,3-dien-1-yl)acetamide
SMILESCC1=CC(C)(C)CC(N(C(=O)COc2nnc(C(F)(F)F)s2)C2CC2)=C1
InChIInChI=1S/C17H20F3N3O2S/c1-10-6-12(8-16(2,3)7-10)23(11-4-5-11)13(24)9-25-15-22-21-14(26-15)17(18,19)20/h6-7,11H,4-5,8-9H2,1-3H3
InChIKeySZZMXEMTNJZKNP-UHFFFAOYSA-N
XLogP4.19
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-cyclopropyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]-N-(3,5,5-trimethylcyclohexa-1,3-dien-1-yl)acetamide 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-cyclopropyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]-N-(3,5,5-trimethylcyclohexa-1,3-dien-1-yl)acetamide?
The IUPAC name of N-cyclopropyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]-N-(3,5,5-trimethylcyclohexa-1,3-dien-1-yl)acetamide (CID 18326140) is N-cyclopropyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]-N-(3,5,5-trimethylcyclohexa-1,3-dien-1-yl)acetamide.
What is the SMILES notation for N-cyclopropyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]-N-(3,5,5-trimethylcyclohexa-1,3-dien-1-yl)acetamide?
The canonical SMILES for N-cyclopropyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]-N-(3,5,5-trimethylcyclohexa-1,3-dien-1-yl)acetamide is CC1=CC(C)(C)CC(N(C(=O)COc2nnc(C(F)(F)F)s2)C2CC2)=C1.
What is the InChIKey of N-cyclopropyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]-N-(3,5,5-trimethylcyclohexa-1,3-dien-1-yl)acetamide?
The InChIKey is SZZMXEMTNJZKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3O2S/c1-10-6-12(8-16(2,3)7-10)23(11-4-5-11)13(24)9-25-15-22-21-14(26-15)17(18,19)20/h6-7,11H,4-5,8-9H2,1-3H3.
What are the key properties of N-cyclopropyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]-N-(3,5,5-trimethylcyclohexa-1,3-dien-1-yl)acetamide?
N-cyclopropyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]-N-(3,5,5-trimethylcyclohexa-1,3-dien-1-yl)acetamide has a molecular weight of 387.43 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]-N-(3,5,5-trimethylcyclohexa-1,3-dien-1-yl)acetamide is sourced from PubChem (CID 18326140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).