5-(difluoromethyl)-3-methyl-N-[3-(1-methylpyrazol-4-yl)-1,2,4-thiadiazol-5-yl]-1,2-oxazole-4-carboxamide

C12H10F2N6O2S — CID 154785691

IUPAC5-(difluoromethyl)-3-methyl-N-[3-(1-methylpyrazol-4-yl)-1,2,4-thiadiazol-5-yl]-1,2-oxazole-4-carboxamide
SMILESCc1noc(C(F)F)c1C(=O)Nc1nc(-c2cnn(C)c2)ns1
InChIInChI=1S/C12H10F2N6O2S/c1-5-7(8(9(13)14)22-18-5)11(21)17-12-16-10(19-23-12)6-3-15-20(2)4-6/h3-4,9H,1-2H3,(H,16,17,19,21)
InChIKeyFQTHUWPEORSKPE-UHFFFAOYSA-N
MW340.32 g/mol
LogP2.42
Rot. Bonds4

About 5-(difluoromethyl)-3-methyl-N-[3-(1-methylpyrazol-4-yl)-1,2,4-thiadiazol-5-yl]-1,2-oxazole-4-carboxamide

5-(difluoromethyl)-3-methyl-N-[3-(1-methylpyrazol-4-yl)-1,2,4-thiadiazol-5-yl]-1,2-oxazole-4-carboxamide (PubChem CID 154785691) has the molecular formula C12H10F2N6O2S and a molecular weight of 340.32 g/mol. Its IUPAC name is 5-(difluoromethyl)-3-methyl-N-[3-(1-methylpyrazol-4-yl)-1,2,4-thiadiazol-5-yl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(difluoromethyl)-3-methyl-N-[3-(1-methylpyrazol-4-yl)-1,2,4-thiadiazol-5-yl]-1,2-oxazole-4-carboxamide
PubChem CID154785691
Molecular FormulaC12H10F2N6O2S
Molecular Weight340.32 g/mol
Exact Mass340.06
IUPAC Name5-(difluoromethyl)-3-methyl-N-[3-(1-methylpyrazol-4-yl)-1,2,4-thiadiazol-5-yl]-1,2-oxazole-4-carboxamide
SMILESCc1noc(C(F)F)c1C(=O)Nc1nc(-c2cnn(C)c2)ns1
InChIInChI=1S/C12H10F2N6O2S/c1-5-7(8(9(13)14)22-18-5)11(21)17-12-16-10(19-23-12)6-3-15-20(2)4-6/h3-4,9H,1-2H3,(H,16,17,19,21)
InChIKeyFQTHUWPEORSKPE-UHFFFAOYSA-N
XLogP2.42
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.32
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-3-methyl-N-[3-(1-methylpyrazol-4-yl)-1,2,4-thiadiazol-5-yl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-(difluoromethyl)-3-methyl-N-[3-(1-methylpyrazol-4-yl)-1,2,4-thiadiazol-5-yl]-1,2-oxazole-4-carboxamide (CID 154785691) is 5-(difluoromethyl)-3-methyl-N-[3-(1-methylpyrazol-4-yl)-1,2,4-thiadiazol-5-yl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-(difluoromethyl)-3-methyl-N-[3-(1-methylpyrazol-4-yl)-1,2,4-thiadiazol-5-yl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-(difluoromethyl)-3-methyl-N-[3-(1-methylpyrazol-4-yl)-1,2,4-thiadiazol-5-yl]-1,2-oxazole-4-carboxamide is Cc1noc(C(F)F)c1C(=O)Nc1nc(-c2cnn(C)c2)ns1.
What is the InChIKey of 5-(difluoromethyl)-3-methyl-N-[3-(1-methylpyrazol-4-yl)-1,2,4-thiadiazol-5-yl]-1,2-oxazole-4-carboxamide?
The InChIKey is FQTHUWPEORSKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N6O2S/c1-5-7(8(9(13)14)22-18-5)11(21)17-12-16-10(19-23-12)6-3-15-20(2)4-6/h3-4,9H,1-2H3,(H,16,17,19,21).
What are the key properties of 5-(difluoromethyl)-3-methyl-N-[3-(1-methylpyrazol-4-yl)-1,2,4-thiadiazol-5-yl]-1,2-oxazole-4-carboxamide?
5-(difluoromethyl)-3-methyl-N-[3-(1-methylpyrazol-4-yl)-1,2,4-thiadiazol-5-yl]-1,2-oxazole-4-carboxamide has a molecular weight of 340.32 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-3-methyl-N-[3-(1-methylpyrazol-4-yl)-1,2,4-thiadiazol-5-yl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 154785691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).