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

C12H8FN3S3 — CID 47096398

IUPAC2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-thiadiazole
SMILESFc1ccc(-c2nc(CSc3nncs3)cs2)cc1
InChIInChI=1S/C12H8FN3S3/c13-9-3-1-8(2-4-9)11-15-10(5-17-11)6-18-12-16-14-7-19-12/h1-5,7H,6H2
InChIKeyOUVAWOUYXLQCQX-UHFFFAOYSA-N
MW309.42 g/mol
LogP4.09
Rot. Bonds4

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

2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-thiadiazole (PubChem CID 47096398) has the molecular formula C12H8FN3S3 and a molecular weight of 309.42 g/mol. Its IUPAC name is 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-thiadiazole
PubChem CID47096398
Molecular FormulaC12H8FN3S3
Molecular Weight309.42 g/mol
Exact Mass308.99
IUPAC Name2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-thiadiazole
SMILESFc1ccc(-c2nc(CSc3nncs3)cs2)cc1
InChIInChI=1S/C12H8FN3S3/c13-9-3-1-8(2-4-9)11-15-10(5-17-11)6-18-12-16-14-7-19-12/h1-5,7H,6H2
InChIKeyOUVAWOUYXLQCQX-UHFFFAOYSA-N
XLogP4.09
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-thiadiazole?
The IUPAC name of 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-thiadiazole (CID 47096398) is 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-thiadiazole?
The canonical SMILES for 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-thiadiazole is Fc1ccc(-c2nc(CSc3nncs3)cs2)cc1.
What is the InChIKey of 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-thiadiazole?
The InChIKey is OUVAWOUYXLQCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN3S3/c13-9-3-1-8(2-4-9)11-15-10(5-17-11)6-18-12-16-14-7-19-12/h1-5,7H,6H2.
What are the key properties of 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-thiadiazole?
2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-thiadiazole has a molecular weight of 309.42 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-thiadiazole is sourced from PubChem (CID 47096398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).