3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1,3,4-thiadiazol-2-yl)hexanamide

C23H24FN5OS — CID 24936982

IUPAC3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1,3,4-thiadiazol-2-yl)hexanamide
SMILESCCCC(c1ccc2c(cnn2-c2ccc(F)cc2)c1)C(C)(C)C(=O)Nc1nncs1
InChIInChI=1S/C23H24FN5OS/c1-4-5-19(23(2,3)21(30)27-22-28-25-14-31-22)15-6-11-20-16(12-15)13-26-29(20)18-9-7-17(24)8-10-18/h6-14,19H,4-5H2,1-3H3,(H,27,28,30)
InChIKeyMATZYFFMBFOOKH-UHFFFAOYSA-N
MW437.54 g/mol
LogP5.56
Rot. Bonds7

About 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1,3,4-thiadiazol-2-yl)hexanamide

3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1,3,4-thiadiazol-2-yl)hexanamide (PubChem CID 24936982) has the molecular formula C23H24FN5OS and a molecular weight of 437.54 g/mol. Its IUPAC name is 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1,3,4-thiadiazol-2-yl)hexanamide.

Molecular Properties

Compound Name3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1,3,4-thiadiazol-2-yl)hexanamide
PubChem CID24936982
Molecular FormulaC23H24FN5OS
Molecular Weight437.54 g/mol
Exact Mass437.17
IUPAC Name3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1,3,4-thiadiazol-2-yl)hexanamide
SMILESCCCC(c1ccc2c(cnn2-c2ccc(F)cc2)c1)C(C)(C)C(=O)Nc1nncs1
InChIInChI=1S/C23H24FN5OS/c1-4-5-19(23(2,3)21(30)27-22-28-25-14-31-22)15-6-11-20-16(12-15)13-26-29(20)18-9-7-17(24)8-10-18/h6-14,19H,4-5H2,1-3H3,(H,27,28,30)
InChIKeyMATZYFFMBFOOKH-UHFFFAOYSA-N
XLogP5.56
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.54
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1,3,4-thiadiazol-2-yl)hexanamide?
The IUPAC name of 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1,3,4-thiadiazol-2-yl)hexanamide (CID 24936982) is 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1,3,4-thiadiazol-2-yl)hexanamide.
What is the SMILES notation for 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1,3,4-thiadiazol-2-yl)hexanamide?
The canonical SMILES for 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1,3,4-thiadiazol-2-yl)hexanamide is CCCC(c1ccc2c(cnn2-c2ccc(F)cc2)c1)C(C)(C)C(=O)Nc1nncs1.
What is the InChIKey of 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1,3,4-thiadiazol-2-yl)hexanamide?
The InChIKey is MATZYFFMBFOOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5OS/c1-4-5-19(23(2,3)21(30)27-22-28-25-14-31-22)15-6-11-20-16(12-15)13-26-29(20)18-9-7-17(24)8-10-18/h6-14,19H,4-5H2,1-3H3,(H,27,28,30).
What are the key properties of 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1,3,4-thiadiazol-2-yl)hexanamide?
3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1,3,4-thiadiazol-2-yl)hexanamide has a molecular weight of 437.54 g/mol, XLogP of 5.56, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1,3,4-thiadiazol-2-yl)hexanamide is sourced from PubChem (CID 24936982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).