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

C20H18FN5OS — CID 59252842

IUPAC3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1,3,4-thiadiazol-2-yl)propanamide
SMILESCC(C)(Cc1ccc2c(cnn2-c2ccc(F)cc2)c1)C(=O)Nc1nncs1
InChIInChI=1S/C20H18FN5OS/c1-20(2,18(27)24-19-25-22-12-28-19)10-13-3-8-17-14(9-13)11-23-26(17)16-6-4-15(21)5-7-16/h3-9,11-12H,10H2,1-2H3,(H,24,25,27)
InChIKeyJSXKKUKCBCVMHI-UHFFFAOYSA-N
MW395.46 g/mol
LogP4.22
Rot. Bonds5

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

3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 59252842) has the molecular formula C20H18FN5OS and a molecular weight of 395.46 g/mol. Its IUPAC name is 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1,3,4-thiadiazol-2-yl)propanamide
PubChem CID59252842
Molecular FormulaC20H18FN5OS
Molecular Weight395.46 g/mol
Exact Mass395.12
IUPAC Name3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1,3,4-thiadiazol-2-yl)propanamide
SMILESCC(C)(Cc1ccc2c(cnn2-c2ccc(F)cc2)c1)C(=O)Nc1nncs1
InChIInChI=1S/C20H18FN5OS/c1-20(2,18(27)24-19-25-22-12-28-19)10-13-3-8-17-14(9-13)11-23-26(17)16-6-4-15(21)5-7-16/h3-9,11-12H,10H2,1-2H3,(H,24,25,27)
InChIKeyJSXKKUKCBCVMHI-UHFFFAOYSA-N
XLogP4.22
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.22
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)propanamide?
The IUPAC name of 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1,3,4-thiadiazol-2-yl)propanamide (CID 59252842) is 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1,3,4-thiadiazol-2-yl)propanamide is CC(C)(Cc1ccc2c(cnn2-c2ccc(F)cc2)c1)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)propanamide?
The InChIKey is JSXKKUKCBCVMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5OS/c1-20(2,18(27)24-19-25-22-12-28-19)10-13-3-8-17-14(9-13)11-23-26(17)16-6-4-15(21)5-7-16/h3-9,11-12H,10H2,1-2H3,(H,24,25,27).
What are the key properties of 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1,3,4-thiadiazol-2-yl)propanamide?
3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 395.46 g/mol, XLogP of 4.22, 5 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)propanamide is sourced from PubChem (CID 59252842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).