N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-propyl-1,3-thiazole-4-carboxamide

C16H14F2N4O2S — CID 72895081

IUPACN-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-propyl-1,3-thiazole-4-carboxamide
SMILESCCCc1nc(C(=O)NCc2noc(-c3c(F)cccc3F)n2)cs1
InChIInChI=1S/C16H14F2N4O2S/c1-2-4-13-20-11(8-25-13)15(23)19-7-12-21-16(24-22-12)14-9(17)5-3-6-10(14)18/h3,5-6,8H,2,4,7H2,1H3,(H,19,23)
InChIKeyMFGUEYRMJSEQAW-UHFFFAOYSA-N
MW364.38 g/mol
LogP3.35
Rot. Bonds6

About N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-propyl-1,3-thiazole-4-carboxamide

N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-propyl-1,3-thiazole-4-carboxamide (PubChem CID 72895081) has the molecular formula C16H14F2N4O2S and a molecular weight of 364.38 g/mol. Its IUPAC name is N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-propyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-propyl-1,3-thiazole-4-carboxamide
PubChem CID72895081
Molecular FormulaC16H14F2N4O2S
Molecular Weight364.38 g/mol
Exact Mass364.08
IUPAC NameN-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-propyl-1,3-thiazole-4-carboxamide
SMILESCCCc1nc(C(=O)NCc2noc(-c3c(F)cccc3F)n2)cs1
InChIInChI=1S/C16H14F2N4O2S/c1-2-4-13-20-11(8-25-13)15(23)19-7-12-21-16(24-22-12)14-9(17)5-3-6-10(14)18/h3,5-6,8H,2,4,7H2,1H3,(H,19,23)
InChIKeyMFGUEYRMJSEQAW-UHFFFAOYSA-N
XLogP3.35
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-propyl-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-6-methyl-4-oxopyran-2-carboxamide
CID 91792992
2-(2-aminoethyl)-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 120630795
N-[2-(5-methylfuran-2-yl)ethyl]-2-propyl-1,3-thiazole-4-carboxamide
CID 72853939
2,3-difluoro-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 50755903
2-amino-N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,3-benzothiazole-5-carboxamide
CID 155503501
N-[[5-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 62341977
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-propyl-1,3-thiazole-4-carboxamide
CID 72882189
2-methylsulfanyl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 118787881
N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 50974928
2-(2-aminoethyl)-N-(pyrimidin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 129052232
N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-propyl-1,3-thiazole-4-carboxamide
CID 97136781
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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-propyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-propyl-1,3-thiazole-4-carboxamide (CID 72895081) is N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-propyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-propyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-propyl-1,3-thiazole-4-carboxamide is CCCc1nc(C(=O)NCc2noc(-c3c(F)cccc3F)n2)cs1.
What is the InChIKey of N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-propyl-1,3-thiazole-4-carboxamide?
The InChIKey is MFGUEYRMJSEQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N4O2S/c1-2-4-13-20-11(8-25-13)15(23)19-7-12-21-16(24-22-12)14-9(17)5-3-6-10(14)18/h3,5-6,8H,2,4,7H2,1H3,(H,19,23).
What are the key properties of N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-propyl-1,3-thiazole-4-carboxamide?
N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-propyl-1,3-thiazole-4-carboxamide has a molecular weight of 364.38 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-propyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 72895081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).