2-[(4-fluorophenyl)methyl]-5-(4-imidazol-1-ylpiperidin-1-yl)-1,3,4-thiadiazole

C17H18FN5S — CID 75521219

IUPAC2-[(4-fluorophenyl)methyl]-5-(4-imidazol-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
SMILESFc1ccc(Cc2nnc(N3CCC(n4ccnc4)CC3)s2)cc1
InChIInChI=1S/C17H18FN5S/c18-14-3-1-13(2-4-14)11-16-20-21-17(24-16)22-8-5-15(6-9-22)23-10-7-19-12-23/h1-4,7,10,12,15H,5-6,8-9,11H2
InChIKeyHRBDYMSQEJSKQT-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.31
Rot. Bonds4

About 2-[(4-fluorophenyl)methyl]-5-(4-imidazol-1-ylpiperidin-1-yl)-1,3,4-thiadiazole

2-[(4-fluorophenyl)methyl]-5-(4-imidazol-1-ylpiperidin-1-yl)-1,3,4-thiadiazole (PubChem CID 75521219) has the molecular formula C17H18FN5S and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-5-(4-imidazol-1-ylpiperidin-1-yl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-5-(4-imidazol-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
PubChem CID75521219
Molecular FormulaC17H18FN5S
Molecular Weight343.43 g/mol
Exact Mass343.13
IUPAC Name2-[(4-fluorophenyl)methyl]-5-(4-imidazol-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
SMILESFc1ccc(Cc2nnc(N3CCC(n4ccnc4)CC3)s2)cc1
InChIInChI=1S/C17H18FN5S/c18-14-3-1-13(2-4-14)11-16-20-21-17(24-16)22-8-5-15(6-9-22)23-10-7-19-12-23/h1-4,7,10,12,15H,5-6,8-9,11H2
InChIKeyHRBDYMSQEJSKQT-UHFFFAOYSA-N
XLogP3.31
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-5-(4-imidazol-1-ylpiperidin-1-yl)-1,3,4-thiadiazole?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-5-(4-imidazol-1-ylpiperidin-1-yl)-1,3,4-thiadiazole (CID 75521219) is 2-[(4-fluorophenyl)methyl]-5-(4-imidazol-1-ylpiperidin-1-yl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-5-(4-imidazol-1-ylpiperidin-1-yl)-1,3,4-thiadiazole?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-5-(4-imidazol-1-ylpiperidin-1-yl)-1,3,4-thiadiazole is Fc1ccc(Cc2nnc(N3CCC(n4ccnc4)CC3)s2)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-5-(4-imidazol-1-ylpiperidin-1-yl)-1,3,4-thiadiazole?
The InChIKey is HRBDYMSQEJSKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5S/c18-14-3-1-13(2-4-14)11-16-20-21-17(24-16)22-8-5-15(6-9-22)23-10-7-19-12-23/h1-4,7,10,12,15H,5-6,8-9,11H2.
What are the key properties of 2-[(4-fluorophenyl)methyl]-5-(4-imidazol-1-ylpiperidin-1-yl)-1,3,4-thiadiazole?
2-[(4-fluorophenyl)methyl]-5-(4-imidazol-1-ylpiperidin-1-yl)-1,3,4-thiadiazole has a molecular weight of 343.43 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-5-(4-imidazol-1-ylpiperidin-1-yl)-1,3,4-thiadiazole is sourced from PubChem (CID 75521219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).