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

C15H14F3N3O2S — CID 151555059

IUPACN-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]thiane-4-carboxamide
SMILESO=C(Nc1ccc(-c2noc(C(F)(F)F)n2)cc1)C1CCSCC1
InChIInChI=1S/C15H14F3N3O2S/c16-15(17,18)14-20-12(21-23-14)9-1-3-11(4-2-9)19-13(22)10-5-7-24-8-6-10/h1-4,10H,5-8H2,(H,19,22)
InChIKeyQBHLFKAMGRUQEL-UHFFFAOYSA-N
MW357.36 g/mol
LogP3.84
Rot. Bonds3

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

N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]thiane-4-carboxamide (PubChem CID 151555059) has the molecular formula C15H14F3N3O2S and a molecular weight of 357.36 g/mol. Its IUPAC name is N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]thiane-4-carboxamide.

Molecular Properties

Compound NameN-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]thiane-4-carboxamide
PubChem CID151555059
Molecular FormulaC15H14F3N3O2S
Molecular Weight357.36 g/mol
Exact Mass357.08
IUPAC NameN-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]thiane-4-carboxamide
SMILESO=C(Nc1ccc(-c2noc(C(F)(F)F)n2)cc1)C1CCSCC1
InChIInChI=1S/C15H14F3N3O2S/c16-15(17,18)14-20-12(21-23-14)9-1-3-11(4-2-9)19-13(22)10-5-7-24-8-6-10/h1-4,10H,5-8H2,(H,19,22)
InChIKeyQBHLFKAMGRUQEL-UHFFFAOYSA-N
XLogP3.84
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclobutanecarboxamide
CID 134367045
N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]piperidine-4-carboxamide
CID 119314177
3-amino-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclohexane-1-carboxamide
CID 119767467
N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]piperidine-3-carboxamide
CID 119314187
3-amino-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119767466
N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 19847727
1-fluoro-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclopropane-1-carboxamide
CID 134366998
N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]piperidine-2-carboxamide
CID 119314167
N-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]oxane-4-carboxamide
CID 71936259
3-methoxy-5-oxo-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclohex-3-ene-1-carboxamide
CID 151813057
2-methyl-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propanamide
CID 134367043
1-(2,2,5,5-tetramethyloxolan-3-yl)-3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]urea
CID 127768392

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]thiane-4-carboxamide?
The IUPAC name of N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]thiane-4-carboxamide (CID 151555059) is N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]thiane-4-carboxamide.
What is the SMILES notation for N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]thiane-4-carboxamide?
The canonical SMILES for N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]thiane-4-carboxamide is O=C(Nc1ccc(-c2noc(C(F)(F)F)n2)cc1)C1CCSCC1.
What is the InChIKey of N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]thiane-4-carboxamide?
The InChIKey is QBHLFKAMGRUQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O2S/c16-15(17,18)14-20-12(21-23-14)9-1-3-11(4-2-9)19-13(22)10-5-7-24-8-6-10/h1-4,10H,5-8H2,(H,19,22).
What are the key properties of N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]thiane-4-carboxamide?
N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]thiane-4-carboxamide has a molecular weight of 357.36 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]thiane-4-carboxamide is sourced from PubChem (CID 151555059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).