2-(4-fluorophenyl)-5-(1-imidazol-1-ylpropyl)-1,3,4-thiadiazole

C14H13FN4S — CID 71547998

IUPAC2-(4-fluorophenyl)-5-(1-imidazol-1-ylpropyl)-1,3,4-thiadiazole
SMILESCCC(c1nnc(-c2ccc(F)cc2)s1)n1ccnc1
InChIInChI=1S/C14H13FN4S/c1-2-12(19-8-7-16-9-19)14-18-17-13(20-14)10-3-5-11(15)6-4-10/h3-9,12H,2H2,1H3
InChIKeyNLJYHWOECMNMCS-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.54
Rot. Bonds4

About 2-(4-fluorophenyl)-5-(1-imidazol-1-ylpropyl)-1,3,4-thiadiazole

2-(4-fluorophenyl)-5-(1-imidazol-1-ylpropyl)-1,3,4-thiadiazole (PubChem CID 71547998) has the molecular formula C14H13FN4S and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-(1-imidazol-1-ylpropyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-(1-imidazol-1-ylpropyl)-1,3,4-thiadiazole
PubChem CID71547998
Molecular FormulaC14H13FN4S
Molecular Weight288.35 g/mol
Exact Mass288.08
IUPAC Name2-(4-fluorophenyl)-5-(1-imidazol-1-ylpropyl)-1,3,4-thiadiazole
SMILESCCC(c1nnc(-c2ccc(F)cc2)s1)n1ccnc1
InChIInChI=1S/C14H13FN4S/c1-2-12(19-8-7-16-9-19)14-18-17-13(20-14)10-3-5-11(15)6-4-10/h3-9,12H,2H2,1H3
InChIKeyNLJYHWOECMNMCS-UHFFFAOYSA-N
XLogP3.54
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-(1-imidazol-1-ylpropyl)-1,3,4-thiadiazole?
The IUPAC name of 2-(4-fluorophenyl)-5-(1-imidazol-1-ylpropyl)-1,3,4-thiadiazole (CID 71547998) is 2-(4-fluorophenyl)-5-(1-imidazol-1-ylpropyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(4-fluorophenyl)-5-(1-imidazol-1-ylpropyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(4-fluorophenyl)-5-(1-imidazol-1-ylpropyl)-1,3,4-thiadiazole is CCC(c1nnc(-c2ccc(F)cc2)s1)n1ccnc1.
What is the InChIKey of 2-(4-fluorophenyl)-5-(1-imidazol-1-ylpropyl)-1,3,4-thiadiazole?
The InChIKey is NLJYHWOECMNMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4S/c1-2-12(19-8-7-16-9-19)14-18-17-13(20-14)10-3-5-11(15)6-4-10/h3-9,12H,2H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-5-(1-imidazol-1-ylpropyl)-1,3,4-thiadiazole?
2-(4-fluorophenyl)-5-(1-imidazol-1-ylpropyl)-1,3,4-thiadiazole has a molecular weight of 288.35 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-(1-imidazol-1-ylpropyl)-1,3,4-thiadiazole is sourced from PubChem (CID 71547998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).