4-ethyl-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]thiadiazole-5-carboxamide

C17H20FN3O2S — CID 47071326

IUPAC4-ethyl-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NCC1(c2ccc(F)cc2)CCOCC1
InChIInChI=1S/C17H20FN3O2S/c1-2-14-15(24-21-20-14)16(22)19-11-17(7-9-23-10-8-17)12-3-5-13(18)6-4-12/h3-6H,2,7-11H2,1H3,(H,19,22)
InChIKeyDPPKJEAOOXZWST-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.72
Rot. Bonds5

About 4-ethyl-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]thiadiazole-5-carboxamide

4-ethyl-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]thiadiazole-5-carboxamide (PubChem CID 47071326) has the molecular formula C17H20FN3O2S and a molecular weight of 349.43 g/mol. Its IUPAC name is 4-ethyl-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]thiadiazole-5-carboxamide
PubChem CID47071326
Molecular FormulaC17H20FN3O2S
Molecular Weight349.43 g/mol
Exact Mass349.13
IUPAC Name4-ethyl-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NCC1(c2ccc(F)cc2)CCOCC1
InChIInChI=1S/C17H20FN3O2S/c1-2-14-15(24-21-20-14)16(22)19-11-17(7-9-23-10-8-17)12-3-5-13(18)6-4-12/h3-6H,2,7-11H2,1H3,(H,19,22)
InChIKeyDPPKJEAOOXZWST-UHFFFAOYSA-N
XLogP2.72
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]thiadiazole-5-carboxamide (CID 47071326) is 4-ethyl-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]thiadiazole-5-carboxamide is CCc1nnsc1C(=O)NCC1(c2ccc(F)cc2)CCOCC1.
What is the InChIKey of 4-ethyl-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]thiadiazole-5-carboxamide?
The InChIKey is DPPKJEAOOXZWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2S/c1-2-14-15(24-21-20-14)16(22)19-11-17(7-9-23-10-8-17)12-3-5-13(18)6-4-12/h3-6H,2,7-11H2,1H3,(H,19,22).
What are the key properties of 4-ethyl-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]thiadiazole-5-carboxamide?
4-ethyl-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]thiadiazole-5-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 47071326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).