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

C13H11F3N6O2S — CID 91838152

IUPACN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide
SMILESCc1cc(C(F)(F)F)n(-c2nc(C(=O)NCc3noc(C)n3)cs2)n1
InChIInChI=1S/C13H11F3N6O2S/c1-6-3-9(13(14,15)16)22(20-6)12-19-8(5-25-12)11(23)17-4-10-18-7(2)24-21-10/h3,5H,4H2,1-2H3,(H,17,23)
InChIKeyOESBRRXRHMICMX-UHFFFAOYSA-N
MW372.33 g/mol
LogP2.28
Rot. Bonds4

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

N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide (PubChem CID 91838152) has the molecular formula C13H11F3N6O2S and a molecular weight of 372.33 g/mol. Its IUPAC name is N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide
PubChem CID91838152
Molecular FormulaC13H11F3N6O2S
Molecular Weight372.33 g/mol
Exact Mass372.06
IUPAC NameN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide
SMILESCc1cc(C(F)(F)F)n(-c2nc(C(=O)NCc3noc(C)n3)cs2)n1
InChIInChI=1S/C13H11F3N6O2S/c1-6-3-9(13(14,15)16)22(20-6)12-19-8(5-25-12)11(23)17-4-10-18-7(2)24-21-10/h3,5H,4H2,1-2H3,(H,17,23)
InChIKeyOESBRRXRHMICMX-UHFFFAOYSA-N
XLogP2.28
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.33
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(3,5-Dimethylpyrazol-1-yl)-[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]methanone
CID 5018592
4-methyl-1-({2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}carbonyl)-1,2,3,6-tetrahydropyridine
CID 119063578
N-[3-(2-isopropyl-1H-imidazol-1-yl)propyl]-2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxamide
CID 131898205
2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[2-(1H-1,2,4-triazol-1-yl)ethyl]-1,3-thiazole-4-carboxamide
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2-[4-[2-[5-Methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]-1,3-thiazole-4-carboxamide
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2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
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2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-N-4H-1,2,4-triazol-4-yl-1,3-thiazole-4-carboxamide
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N-[(1S,2R)-2-aminocyclobutyl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide
CID 56907305
N-[(1S*,2R*)-2-(isopropylamino)cyclobutyl]-2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxamide
CID 56909572
5-{2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}-3-(tetrahydrofuran-3-yl)-1,2,4-oxadiazole
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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide (CID 91838152) is N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide is Cc1cc(C(F)(F)F)n(-c2nc(C(=O)NCc3noc(C)n3)cs2)n1.
What is the InChIKey of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is OESBRRXRHMICMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N6O2S/c1-6-3-9(13(14,15)16)22(20-6)12-19-8(5-25-12)11(23)17-4-10-18-7(2)24-21-10/h3,5H,4H2,1-2H3,(H,17,23).
What are the key properties of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide?
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 372.33 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 91838152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).