5-(4-fluorophenyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1-methylpyrazole-3-carboxamide

C15H14FN5O2S — CID 46968729

IUPAC5-(4-fluorophenyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1-methylpyrazole-3-carboxamide
SMILESCOCc1nnc(NC(=O)c2cc(-c3ccc(F)cc3)n(C)n2)s1
InChIInChI=1S/C15H14FN5O2S/c1-21-12(9-3-5-10(16)6-4-9)7-11(20-21)14(22)17-15-19-18-13(24-15)8-23-2/h3-7H,8H2,1-2H3,(H,17,19,22)
InChIKeyCDLGDRDGAZIXFG-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.48
Rot. Bonds5

About 5-(4-fluorophenyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1-methylpyrazole-3-carboxamide

5-(4-fluorophenyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1-methylpyrazole-3-carboxamide (PubChem CID 46968729) has the molecular formula C15H14FN5O2S and a molecular weight of 347.38 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1-methylpyrazole-3-carboxamide
PubChem CID46968729
Molecular FormulaC15H14FN5O2S
Molecular Weight347.38 g/mol
Exact Mass347.09
IUPAC Name5-(4-fluorophenyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1-methylpyrazole-3-carboxamide
SMILESCOCc1nnc(NC(=O)c2cc(-c3ccc(F)cc3)n(C)n2)s1
InChIInChI=1S/C15H14FN5O2S/c1-21-12(9-3-5-10(16)6-4-9)7-11(20-21)14(22)17-15-19-18-13(24-15)8-23-2/h3-7H,8H2,1-2H3,(H,17,19,22)
InChIKeyCDLGDRDGAZIXFG-UHFFFAOYSA-N
XLogP2.48
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1-methylpyrazole-3-carboxamide (CID 46968729) is 5-(4-fluorophenyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1-methylpyrazole-3-carboxamide is COCc1nnc(NC(=O)c2cc(-c3ccc(F)cc3)n(C)n2)s1.
What is the InChIKey of 5-(4-fluorophenyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1-methylpyrazole-3-carboxamide?
The InChIKey is CDLGDRDGAZIXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5O2S/c1-21-12(9-3-5-10(16)6-4-9)7-11(20-21)14(22)17-15-19-18-13(24-15)8-23-2/h3-7H,8H2,1-2H3,(H,17,19,22).
What are the key properties of 5-(4-fluorophenyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1-methylpyrazole-3-carboxamide?
5-(4-fluorophenyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1-methylpyrazole-3-carboxamide has a molecular weight of 347.38 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 46968729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).