N-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide

C17H15F3N4O2S — CID 70774450

IUPACN-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCc1noc(C(C)N(C)C(=O)c2csc(-c3ccc(C(F)(F)F)cc3)n2)n1
InChIInChI=1S/C17H15F3N4O2S/c1-9(14-21-10(2)23-26-14)24(3)16(25)13-8-27-15(22-13)11-4-6-12(7-5-11)17(18,19)20/h4-9H,1-3H3
InChIKeyYOOQNOUKDZLMPT-UHFFFAOYSA-N
MW396.39 g/mol
LogP4.35
Rot. Bonds4

About N-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide

N-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 70774450) has the molecular formula C17H15F3N4O2S and a molecular weight of 396.39 g/mol. Its IUPAC name is N-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID70774450
Molecular FormulaC17H15F3N4O2S
Molecular Weight396.39 g/mol
Exact Mass396.09
IUPAC NameN-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCc1noc(C(C)N(C)C(=O)c2csc(-c3ccc(C(F)(F)F)cc3)n2)n1
InChIInChI=1S/C17H15F3N4O2S/c1-9(14-21-10(2)23-26-14)24(3)16(25)13-8-27-15(22-13)11-4-6-12(7-5-11)17(18,19)20/h4-9H,1-3H3
InChIKeyYOOQNOUKDZLMPT-UHFFFAOYSA-N
XLogP4.35
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.39
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]-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-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide (CID 70774450) is N-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide is Cc1noc(C(C)N(C)C(=O)c2csc(-c3ccc(C(F)(F)F)cc3)n2)n1.
What is the InChIKey of N-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is YOOQNOUKDZLMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O2S/c1-9(14-21-10(2)23-26-14)24(3)16(25)13-8-27-15(22-13)11-4-6-12(7-5-11)17(18,19)20/h4-9H,1-3H3.
What are the key properties of N-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
N-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 396.39 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 70774450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).