N-ethyl-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide

C17H20FN3OS — CID 1451556

IUPACN-ethyl-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide
SMILESCCN(C(=O)C1CCCCC1)c1nnc(-c2ccc(F)cc2)s1
InChIInChI=1S/C17H20FN3OS/c1-2-21(16(22)13-6-4-3-5-7-13)17-20-19-15(23-17)12-8-10-14(18)11-9-12/h8-11,13H,2-7H2,1H3
InChIKeyWMCXQJADJZYSAA-UHFFFAOYSA-N
MW333.43 g/mol
LogP4.28
Rot. Bonds4

About N-ethyl-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide

N-ethyl-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide (PubChem CID 1451556) has the molecular formula C17H20FN3OS and a molecular weight of 333.43 g/mol. Its IUPAC name is N-ethyl-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-ethyl-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide
PubChem CID1451556
Molecular FormulaC17H20FN3OS
Molecular Weight333.43 g/mol
Exact Mass333.13
IUPAC NameN-ethyl-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide
SMILESCCN(C(=O)C1CCCCC1)c1nnc(-c2ccc(F)cc2)s1
InChIInChI=1S/C17H20FN3OS/c1-2-21(16(22)13-6-4-3-5-7-13)17-20-19-15(23-17)12-8-10-14(18)11-9-12/h8-11,13H,2-7H2,1H3
InChIKeyWMCXQJADJZYSAA-UHFFFAOYSA-N
XLogP4.28
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-ethyl-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide (CID 1451556) is N-ethyl-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-ethyl-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-ethyl-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide is CCN(C(=O)C1CCCCC1)c1nnc(-c2ccc(F)cc2)s1.
What is the InChIKey of N-ethyl-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide?
The InChIKey is WMCXQJADJZYSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3OS/c1-2-21(16(22)13-6-4-3-5-7-13)17-20-19-15(23-17)12-8-10-14(18)11-9-12/h8-11,13H,2-7H2,1H3.
What are the key properties of N-ethyl-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide?
N-ethyl-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide has a molecular weight of 333.43 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 1451556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).