4-[4-(3-fluorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]-2-methyl-1,3-thiazole

C13H11FN4S2 — CID 2744097

IUPAC4-[4-(3-fluorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]-2-methyl-1,3-thiazole
SMILESCSc1nnc(-c2csc(C)n2)n1-c1cccc(F)c1
InChIInChI=1S/C13H11FN4S2/c1-8-15-11(7-20-8)12-16-17-13(19-2)18(12)10-5-3-4-9(14)6-10/h3-7H,1-2H3
InChIKeyDLORAMPPOQXVIB-UHFFFAOYSA-N
MW306.39 g/mol
LogP3.56
Rot. Bonds3

About 4-[4-(3-fluorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]-2-methyl-1,3-thiazole

4-[4-(3-fluorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]-2-methyl-1,3-thiazole (PubChem CID 2744097) has the molecular formula C13H11FN4S2 and a molecular weight of 306.39 g/mol. Its IUPAC name is 4-[4-(3-fluorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[4-(3-fluorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]-2-methyl-1,3-thiazole
PubChem CID2744097
Molecular FormulaC13H11FN4S2
Molecular Weight306.39 g/mol
Exact Mass306.04
IUPAC Name4-[4-(3-fluorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]-2-methyl-1,3-thiazole
SMILESCSc1nnc(-c2csc(C)n2)n1-c1cccc(F)c1
InChIInChI=1S/C13H11FN4S2/c1-8-15-11(7-20-8)12-16-17-13(19-2)18(12)10-5-3-4-9(14)6-10/h3-7H,1-2H3
InChIKeyDLORAMPPOQXVIB-UHFFFAOYSA-N
XLogP3.56
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-fluorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[4-(3-fluorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]-2-methyl-1,3-thiazole (CID 2744097) is 4-[4-(3-fluorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[4-(3-fluorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[4-(3-fluorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]-2-methyl-1,3-thiazole is CSc1nnc(-c2csc(C)n2)n1-c1cccc(F)c1.
What is the InChIKey of 4-[4-(3-fluorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]-2-methyl-1,3-thiazole?
The InChIKey is DLORAMPPOQXVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4S2/c1-8-15-11(7-20-8)12-16-17-13(19-2)18(12)10-5-3-4-9(14)6-10/h3-7H,1-2H3.
What are the key properties of 4-[4-(3-fluorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]-2-methyl-1,3-thiazole?
4-[4-(3-fluorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]-2-methyl-1,3-thiazole has a molecular weight of 306.39 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-fluorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 2744097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).