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

C15H11F3N4O2S — CID 70783084

IUPACN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCc1nc(CNC(=O)c2csc(-c3ccc(C(F)(F)F)cc3)n2)no1
InChIInChI=1S/C15H11F3N4O2S/c1-8-20-12(22-24-8)6-19-13(23)11-7-25-14(21-11)9-2-4-10(5-3-9)15(16,17)18/h2-5,7H,6H2,1H3,(H,19,23)
InChIKeyZQRBRUJXKRAWAA-UHFFFAOYSA-N
MW368.34 g/mol
LogP3.45
Rot. Bonds4

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

N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 70783084) has the molecular formula C15H11F3N4O2S and a molecular weight of 368.34 g/mol. Its IUPAC name is N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID70783084
Molecular FormulaC15H11F3N4O2S
Molecular Weight368.34 g/mol
Exact Mass368.06
IUPAC NameN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCc1nc(CNC(=O)c2csc(-c3ccc(C(F)(F)F)cc3)n2)no1
InChIInChI=1S/C15H11F3N4O2S/c1-8-20-12(22-24-8)6-19-13(23)11-7-25-14(21-11)9-2-4-10(5-3-9)15(16,17)18/h2-5,7H,6H2,1H3,(H,19,23)
InChIKeyZQRBRUJXKRAWAA-UHFFFAOYSA-N
XLogP3.45
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.34
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide (CID 70783084) is N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide is Cc1nc(CNC(=O)c2csc(-c3ccc(C(F)(F)F)cc3)n2)no1.
What is the InChIKey of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is ZQRBRUJXKRAWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4O2S/c1-8-20-12(22-24-8)6-19-13(23)11-7-25-14(21-11)9-2-4-10(5-3-9)15(16,17)18/h2-5,7H,6H2,1H3,(H,19,23).
What are the key properties of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 368.34 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 70783084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).