4-ethyl-N-[1-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]thiadiazole-5-carboxamide

C21H25FN6OS — CID 92588571

IUPAC4-ethyl-N-[1-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NC1CCN(Cc2cc(-c3ccc(F)cc3)nn2C)CC1
InChIInChI=1S/C21H25FN6OS/c1-3-18-20(30-26-24-18)21(29)23-16-8-10-28(11-9-16)13-17-12-19(25-27(17)2)14-4-6-15(22)7-5-14/h4-7,12,16H,3,8-11,13H2,1-2H3,(H,23,29)
InChIKeySBJNGPUMDKKKEK-UHFFFAOYSA-N
MW428.54 g/mol
LogP3.03
Rot. Bonds6

About 4-ethyl-N-[1-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]thiadiazole-5-carboxamide

4-ethyl-N-[1-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]thiadiazole-5-carboxamide (PubChem CID 92588571) has the molecular formula C21H25FN6OS and a molecular weight of 428.54 g/mol. Its IUPAC name is 4-ethyl-N-[1-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[1-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]thiadiazole-5-carboxamide
PubChem CID92588571
Molecular FormulaC21H25FN6OS
Molecular Weight428.54 g/mol
Exact Mass428.18
IUPAC Name4-ethyl-N-[1-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NC1CCN(Cc2cc(-c3ccc(F)cc3)nn2C)CC1
InChIInChI=1S/C21H25FN6OS/c1-3-18-20(30-26-24-18)21(29)23-16-8-10-28(11-9-16)13-17-12-19(25-27(17)2)14-4-6-15(22)7-5-14/h4-7,12,16H,3,8-11,13H2,1-2H3,(H,23,29)
InChIKeySBJNGPUMDKKKEK-UHFFFAOYSA-N
XLogP3.03
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[1-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]thiadiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-[1-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]thiadiazole-5-carboxamide (CID 92588571) is 4-ethyl-N-[1-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-[1-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-[1-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]thiadiazole-5-carboxamide is CCc1nnsc1C(=O)NC1CCN(Cc2cc(-c3ccc(F)cc3)nn2C)CC1.
What is the InChIKey of 4-ethyl-N-[1-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]thiadiazole-5-carboxamide?
The InChIKey is SBJNGPUMDKKKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN6OS/c1-3-18-20(30-26-24-18)21(29)23-16-8-10-28(11-9-16)13-17-12-19(25-27(17)2)14-4-6-15(22)7-5-14/h4-7,12,16H,3,8-11,13H2,1-2H3,(H,23,29).
What are the key properties of 4-ethyl-N-[1-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]thiadiazole-5-carboxamide?
4-ethyl-N-[1-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]thiadiazole-5-carboxamide has a molecular weight of 428.54 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[1-[[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]thiadiazole-5-carboxamide is sourced from PubChem (CID 92588571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).