2-[3-(4-fluorophenyl)-1H-indazol-5-yl]-5-methyl-1,3,4-thiadiazole

C16H11FN4S — CID 11197659

IUPAC2-[3-(4-fluorophenyl)-1H-indazol-5-yl]-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(-c2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)s1
InChIInChI=1S/C16H11FN4S/c1-9-18-21-16(22-9)11-4-7-14-13(8-11)15(20-19-14)10-2-5-12(17)6-3-10/h2-8H,1H3,(H,19,20)
InChIKeyDUQGPHJRKUMSRX-UHFFFAOYSA-N
MW310.36 g/mol
LogP4.20
Rot. Bonds2

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

2-[3-(4-fluorophenyl)-1H-indazol-5-yl]-5-methyl-1,3,4-thiadiazole (PubChem CID 11197659) has the molecular formula C16H11FN4S and a molecular weight of 310.36 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)-1H-indazol-5-yl]-5-methyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)-1H-indazol-5-yl]-5-methyl-1,3,4-thiadiazole
PubChem CID11197659
Molecular FormulaC16H11FN4S
Molecular Weight310.36 g/mol
Exact Mass310.07
IUPAC Name2-[3-(4-fluorophenyl)-1H-indazol-5-yl]-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(-c2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)s1
InChIInChI=1S/C16H11FN4S/c1-9-18-21-16(22-9)11-4-7-14-13(8-11)15(20-19-14)10-2-5-12(17)6-3-10/h2-8H,1H3,(H,19,20)
InChIKeyDUQGPHJRKUMSRX-UHFFFAOYSA-N
XLogP4.20
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)-1H-indazol-5-yl]-5-methyl-1,3,4-thiadiazole?
The IUPAC name of 2-[3-(4-fluorophenyl)-1H-indazol-5-yl]-5-methyl-1,3,4-thiadiazole (CID 11197659) is 2-[3-(4-fluorophenyl)-1H-indazol-5-yl]-5-methyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-[3-(4-fluorophenyl)-1H-indazol-5-yl]-5-methyl-1,3,4-thiadiazole?
The canonical SMILES for 2-[3-(4-fluorophenyl)-1H-indazol-5-yl]-5-methyl-1,3,4-thiadiazole is Cc1nnc(-c2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)s1.
What is the InChIKey of 2-[3-(4-fluorophenyl)-1H-indazol-5-yl]-5-methyl-1,3,4-thiadiazole?
The InChIKey is DUQGPHJRKUMSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN4S/c1-9-18-21-16(22-9)11-4-7-14-13(8-11)15(20-19-14)10-2-5-12(17)6-3-10/h2-8H,1H3,(H,19,20).
What are the key properties of 2-[3-(4-fluorophenyl)-1H-indazol-5-yl]-5-methyl-1,3,4-thiadiazole?
2-[3-(4-fluorophenyl)-1H-indazol-5-yl]-5-methyl-1,3,4-thiadiazole has a molecular weight of 310.36 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)-1H-indazol-5-yl]-5-methyl-1,3,4-thiadiazole is sourced from PubChem (CID 11197659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).