N-[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-methyl-1,3-thiazole-2-carboxamide

C17H14F2N4O2S — CID 139413233

IUPACN-[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-methyl-1,3-thiazole-2-carboxamide
SMILESCc1csc(C(=O)NC2CCc3cc(-c4noc(C(F)F)n4)ccc32)n1
InChIInChI=1S/C17H14F2N4O2S/c1-8-7-26-17(20-8)15(24)21-12-5-3-9-6-10(2-4-11(9)12)14-22-16(13(18)19)25-23-14/h2,4,6-7,12-13H,3,5H2,1H3,(H,21,24)
InChIKeyVPDGKVKHRVWLCB-UHFFFAOYSA-N
MW376.39 g/mol
LogP3.86
Rot. Bonds4

About N-[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-methyl-1,3-thiazole-2-carboxamide

N-[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-methyl-1,3-thiazole-2-carboxamide (PubChem CID 139413233) has the molecular formula C17H14F2N4O2S and a molecular weight of 376.39 g/mol. Its IUPAC name is N-[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-methyl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-methyl-1,3-thiazole-2-carboxamide
PubChem CID139413233
Molecular FormulaC17H14F2N4O2S
Molecular Weight376.39 g/mol
Exact Mass376.08
IUPAC NameN-[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-methyl-1,3-thiazole-2-carboxamide
SMILESCc1csc(C(=O)NC2CCc3cc(-c4noc(C(F)F)n4)ccc32)n1
InChIInChI=1S/C17H14F2N4O2S/c1-8-7-26-17(20-8)15(24)21-12-5-3-9-6-10(2-4-11(9)12)14-22-16(13(18)19)25-23-14/h2,4,6-7,12-13H,3,5H2,1H3,(H,21,24)
InChIKeyVPDGKVKHRVWLCB-UHFFFAOYSA-N
XLogP3.86
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-methyl-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-methyl-1,3-thiazole-2-carboxamide (CID 139413233) is N-[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-methyl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-methyl-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-methyl-1,3-thiazole-2-carboxamide is Cc1csc(C(=O)NC2CCc3cc(-c4noc(C(F)F)n4)ccc32)n1.
What is the InChIKey of N-[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-methyl-1,3-thiazole-2-carboxamide?
The InChIKey is VPDGKVKHRVWLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N4O2S/c1-8-7-26-17(20-8)15(24)21-12-5-3-9-6-10(2-4-11(9)12)14-22-16(13(18)19)25-23-14/h2,4,6-7,12-13H,3,5H2,1H3,(H,21,24).
What are the key properties of N-[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-methyl-1,3-thiazole-2-carboxamide?
N-[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-methyl-1,3-thiazole-2-carboxamide has a molecular weight of 376.39 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-methyl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 139413233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).