4-[4-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]phenyl]thiadiazole

C17H10FN3S2 — CID 2742423

IUPAC4-[4-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]phenyl]thiadiazole
SMILESFc1cccc(-c2csc(-c3ccc(-c4csnn4)cc3)n2)c1
InChIInChI=1S/C17H10FN3S2/c18-14-3-1-2-13(8-14)15-9-22-17(19-15)12-6-4-11(5-7-12)16-10-23-21-20-16/h1-10H
InChIKeyDBKNUNBDAMSMGM-UHFFFAOYSA-N
MW339.42 g/mol
LogP5.13
Rot. Bonds3

About 4-[4-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]phenyl]thiadiazole

4-[4-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]phenyl]thiadiazole (PubChem CID 2742423) has the molecular formula C17H10FN3S2 and a molecular weight of 339.42 g/mol. Its IUPAC name is 4-[4-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]phenyl]thiadiazole.

Molecular Properties

Compound Name4-[4-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]phenyl]thiadiazole
PubChem CID2742423
Molecular FormulaC17H10FN3S2
Molecular Weight339.42 g/mol
Exact Mass339.03
IUPAC Name4-[4-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]phenyl]thiadiazole
SMILESFc1cccc(-c2csc(-c3ccc(-c4csnn4)cc3)n2)c1
InChIInChI=1S/C17H10FN3S2/c18-14-3-1-2-13(8-14)15-9-22-17(19-15)12-6-4-11(5-7-12)16-10-23-21-20-16/h1-10H
InChIKeyDBKNUNBDAMSMGM-UHFFFAOYSA-N
XLogP5.13
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.42
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]phenyl]thiadiazole?
The IUPAC name of 4-[4-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]phenyl]thiadiazole (CID 2742423) is 4-[4-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]phenyl]thiadiazole.
What is the SMILES notation for 4-[4-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]phenyl]thiadiazole?
The canonical SMILES for 4-[4-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]phenyl]thiadiazole is Fc1cccc(-c2csc(-c3ccc(-c4csnn4)cc3)n2)c1.
What is the InChIKey of 4-[4-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]phenyl]thiadiazole?
The InChIKey is DBKNUNBDAMSMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10FN3S2/c18-14-3-1-2-13(8-14)15-9-22-17(19-15)12-6-4-11(5-7-12)16-10-23-21-20-16/h1-10H.
What are the key properties of 4-[4-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]phenyl]thiadiazole?
4-[4-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]phenyl]thiadiazole has a molecular weight of 339.42 g/mol, XLogP of 5.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]phenyl]thiadiazole is sourced from PubChem (CID 2742423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).