2-(4-fluorophenyl)-5-[2-(4-methylcyclohexyl)ethyl]-1,3,4-thiadiazole

C17H21FN2S — CID 59545282

IUPAC2-(4-fluorophenyl)-5-[2-(4-methylcyclohexyl)ethyl]-1,3,4-thiadiazole
SMILESCC1CCC(CCc2nnc(-c3ccc(F)cc3)s2)CC1
InChIInChI=1S/C17H21FN2S/c1-12-2-4-13(5-3-12)6-11-16-19-20-17(21-16)14-7-9-15(18)10-8-14/h7-10,12-13H,2-6,11H2,1H3
InChIKeyYNVMKLNTMFAHPN-UHFFFAOYSA-N
MW304.43 g/mol
LogP5.10
Rot. Bonds4

About 2-(4-fluorophenyl)-5-[2-(4-methylcyclohexyl)ethyl]-1,3,4-thiadiazole

2-(4-fluorophenyl)-5-[2-(4-methylcyclohexyl)ethyl]-1,3,4-thiadiazole (PubChem CID 59545282) has the molecular formula C17H21FN2S and a molecular weight of 304.43 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-[2-(4-methylcyclohexyl)ethyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-[2-(4-methylcyclohexyl)ethyl]-1,3,4-thiadiazole
PubChem CID59545282
Molecular FormulaC17H21FN2S
Molecular Weight304.43 g/mol
Exact Mass304.14
IUPAC Name2-(4-fluorophenyl)-5-[2-(4-methylcyclohexyl)ethyl]-1,3,4-thiadiazole
SMILESCC1CCC(CCc2nnc(-c3ccc(F)cc3)s2)CC1
InChIInChI=1S/C17H21FN2S/c1-12-2-4-13(5-3-12)6-11-16-19-20-17(21-16)14-7-9-15(18)10-8-14/h7-10,12-13H,2-6,11H2,1H3
InChIKeyYNVMKLNTMFAHPN-UHFFFAOYSA-N
XLogP5.10
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.43
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3,4-Thiadiazole, 2,5-diphenyl-
CID 15080
2-Methyl-5-phenyl-1,3,4-thiadiazole
CID 97425
3-(5-(2-Biphenylyl)-1,3,4-thiadiazol-2-yl)propanamine
CID 13684147
N,N-dimethyl-1-[5-(2-phenylphenyl)-1,3,4-thiadiazol-2-yl]methanamine
CID 13684161
2-Chloro-5-(2-fluorophenyl)-1,3,4-thiadiazole
CID 13318778
2-(2-Fluorophenyl)-5-methylsulfanyl-1,3,4-thiadiazole
CID 139221813
1,3,4-Thiadiazole, 2-isopropyl-5-phenyl-
CID 605161
2-(2-Fluoro-4'-propyl-biphenyl-4-yl)-5-nonyl-[1,3,4]thiadiazole
CID 18997770
2-Butyl-5-(2,3-difluoro-4'-pentyl-biphenyl-4-yl)-[1,3,4]thiadiazole
CID 19763057
2,5-Bis(4-methylphenyl)-1,3,4-thiadiazole
CID 12680531
2-(1-Chloroethyl)-5-phenyl-1,3,4-thiadiazole
CID 65696074
2-Phenyl-5-trifluoromethyl-1,3,4-thiadiazole
CID 11379210

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-[2-(4-methylcyclohexyl)ethyl]-1,3,4-thiadiazole?
The IUPAC name of 2-(4-fluorophenyl)-5-[2-(4-methylcyclohexyl)ethyl]-1,3,4-thiadiazole (CID 59545282) is 2-(4-fluorophenyl)-5-[2-(4-methylcyclohexyl)ethyl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-(4-fluorophenyl)-5-[2-(4-methylcyclohexyl)ethyl]-1,3,4-thiadiazole?
The canonical SMILES for 2-(4-fluorophenyl)-5-[2-(4-methylcyclohexyl)ethyl]-1,3,4-thiadiazole is CC1CCC(CCc2nnc(-c3ccc(F)cc3)s2)CC1.
What is the InChIKey of 2-(4-fluorophenyl)-5-[2-(4-methylcyclohexyl)ethyl]-1,3,4-thiadiazole?
The InChIKey is YNVMKLNTMFAHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2S/c1-12-2-4-13(5-3-12)6-11-16-19-20-17(21-16)14-7-9-15(18)10-8-14/h7-10,12-13H,2-6,11H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-5-[2-(4-methylcyclohexyl)ethyl]-1,3,4-thiadiazole?
2-(4-fluorophenyl)-5-[2-(4-methylcyclohexyl)ethyl]-1,3,4-thiadiazole has a molecular weight of 304.43 g/mol, XLogP of 5.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-[2-(4-methylcyclohexyl)ethyl]-1,3,4-thiadiazole is sourced from PubChem (CID 59545282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).