N'-[4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]-2-methyl-5-(trifluoromethyl)phenyl]-N-methyl-N-propan-2-ylmethanimidamide

C19H25F3N4OS — CID 67497388

IUPACN'-[4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]-2-methyl-5-(trifluoromethyl)phenyl]-N-methyl-N-propan-2-ylmethanimidamide
SMILESCc1cc(Oc2nc(C(C)(C)C)ns2)c(C(F)(F)F)cc1/N=C/N(C)C(C)C
InChIInChI=1S/C19H25F3N4OS/c1-11(2)26(7)10-23-14-9-13(19(20,21)22)15(8-12(14)3)27-17-24-16(25-28-17)18(4,5)6/h8-11H,1-7H3/b23-10+
InChIKeyCSNUYXXNNFOYDA-AUEPDCJTSA-N
MW414.50 g/mol
LogP5.96
Rot. Bonds5

About N'-[4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]-2-methyl-5-(trifluoromethyl)phenyl]-N-methyl-N-propan-2-ylmethanimidamide

N'-[4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]-2-methyl-5-(trifluoromethyl)phenyl]-N-methyl-N-propan-2-ylmethanimidamide (PubChem CID 67497388) has the molecular formula C19H25F3N4OS and a molecular weight of 414.50 g/mol. Its IUPAC name is N'-[4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]-2-methyl-5-(trifluoromethyl)phenyl]-N-methyl-N-propan-2-ylmethanimidamide.

Molecular Properties

Compound NameN'-[4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]-2-methyl-5-(trifluoromethyl)phenyl]-N-methyl-N-propan-2-ylmethanimidamide
PubChem CID67497388
Molecular FormulaC19H25F3N4OS
Molecular Weight414.50 g/mol
Exact Mass414.17
IUPAC NameN'-[4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]-2-methyl-5-(trifluoromethyl)phenyl]-N-methyl-N-propan-2-ylmethanimidamide
SMILESCc1cc(Oc2nc(C(C)(C)C)ns2)c(C(F)(F)F)cc1/N=C/N(C)C(C)C
InChIInChI=1S/C19H25F3N4OS/c1-11(2)26(7)10-23-14-9-13(19(20,21)22)15(8-12(14)3)27-17-24-16(25-28-17)18(4,5)6/h8-11H,1-7H3/b23-10+
InChIKeyCSNUYXXNNFOYDA-AUEPDCJTSA-N
XLogP5.96
TPSA50.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.50
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-[4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]-2-methyl-5-(trifluoromethyl)phenyl]-N-methyl-N-propan-2-ylmethanimidamide 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'-[4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]-2-methyl-5-(trifluoromethyl)phenyl]-N-methyl-N-propan-2-ylmethanimidamide?
The IUPAC name of N'-[4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]-2-methyl-5-(trifluoromethyl)phenyl]-N-methyl-N-propan-2-ylmethanimidamide (CID 67497388) is N'-[4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]-2-methyl-5-(trifluoromethyl)phenyl]-N-methyl-N-propan-2-ylmethanimidamide.
What is the SMILES notation for N'-[4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]-2-methyl-5-(trifluoromethyl)phenyl]-N-methyl-N-propan-2-ylmethanimidamide?
The canonical SMILES for N'-[4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]-2-methyl-5-(trifluoromethyl)phenyl]-N-methyl-N-propan-2-ylmethanimidamide is Cc1cc(Oc2nc(C(C)(C)C)ns2)c(C(F)(F)F)cc1/N=C/N(C)C(C)C.
What is the InChIKey of N'-[4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]-2-methyl-5-(trifluoromethyl)phenyl]-N-methyl-N-propan-2-ylmethanimidamide?
The InChIKey is CSNUYXXNNFOYDA-AUEPDCJTSA-N. The full InChI is InChI=1S/C19H25F3N4OS/c1-11(2)26(7)10-23-14-9-13(19(20,21)22)15(8-12(14)3)27-17-24-16(25-28-17)18(4,5)6/h8-11H,1-7H3/b23-10+.
What are the key properties of N'-[4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]-2-methyl-5-(trifluoromethyl)phenyl]-N-methyl-N-propan-2-ylmethanimidamide?
N'-[4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]-2-methyl-5-(trifluoromethyl)phenyl]-N-methyl-N-propan-2-ylmethanimidamide has a molecular weight of 414.50 g/mol, XLogP of 5.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxy]-2-methyl-5-(trifluoromethyl)phenyl]-N-methyl-N-propan-2-ylmethanimidamide is sourced from PubChem (CID 67497388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).