5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-methylthiadiazole

C12H8FN3S2 — CID 2804343

IUPAC5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-methylthiadiazole
SMILESCc1nnsc1-c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C12H8FN3S2/c1-7-11(18-16-15-7)12-14-10(6-17-12)8-2-4-9(13)5-3-8/h2-6H,1H3
InChIKeyQWNINUUGAQOOOU-UHFFFAOYSA-N
MW277.35 g/mol
LogP3.78
Rot. Bonds2

About 5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-methylthiadiazole

5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-methylthiadiazole (PubChem CID 2804343) has the molecular formula C12H8FN3S2 and a molecular weight of 277.35 g/mol. Its IUPAC name is 5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-methylthiadiazole.

Molecular Properties

Compound Name5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-methylthiadiazole
PubChem CID2804343
Molecular FormulaC12H8FN3S2
Molecular Weight277.35 g/mol
Exact Mass277.01
IUPAC Name5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-methylthiadiazole
SMILESCc1nnsc1-c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C12H8FN3S2/c1-7-11(18-16-15-7)12-14-10(6-17-12)8-2-4-9(13)5-3-8/h2-6H,1H3
InChIKeyQWNINUUGAQOOOU-UHFFFAOYSA-N
XLogP3.78
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-methylthiadiazole?
The IUPAC name of 5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-methylthiadiazole (CID 2804343) is 5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-methylthiadiazole.
What is the SMILES notation for 5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-methylthiadiazole?
The canonical SMILES for 5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-methylthiadiazole is Cc1nnsc1-c1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of 5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-methylthiadiazole?
The InChIKey is QWNINUUGAQOOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN3S2/c1-7-11(18-16-15-7)12-14-10(6-17-12)8-2-4-9(13)5-3-8/h2-6H,1H3.
What are the key properties of 5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-methylthiadiazole?
5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-methylthiadiazole has a molecular weight of 277.35 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-methylthiadiazole is sourced from PubChem (CID 2804343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).