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

C26H22ClN5OS — CID 24937363

IUPAC3-[1-(4-chlorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide
SMILESCC(C)(C(=O)Nc1nncs1)C(c1ccccc1)c1ccc2c(cnn2-c2ccc(Cl)cc2)c1
InChIInChI=1S/C26H22ClN5OS/c1-26(2,24(33)30-25-31-28-16-34-25)23(17-6-4-3-5-7-17)18-8-13-22-19(14-18)15-29-32(22)21-11-9-20(27)10-12-21/h3-16,23H,1-2H3,(H,30,31,33)
InChIKeyNDQPXLMAPGHANG-UHFFFAOYSA-N
MW488.02 g/mol
LogP6.33
Rot. Bonds6

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

3-[1-(4-chlorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 24937363) has the molecular formula C26H22ClN5OS and a molecular weight of 488.02 g/mol. Its IUPAC name is 3-[1-(4-chlorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-[1-(4-chlorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide
PubChem CID24937363
Molecular FormulaC26H22ClN5OS
Molecular Weight488.02 g/mol
Exact Mass487.12
IUPAC Name3-[1-(4-chlorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide
SMILESCC(C)(C(=O)Nc1nncs1)C(c1ccccc1)c1ccc2c(cnn2-c2ccc(Cl)cc2)c1
InChIInChI=1S/C26H22ClN5OS/c1-26(2,24(33)30-25-31-28-16-34-25)23(17-6-4-3-5-7-17)18-8-13-22-19(14-18)15-29-32(22)21-11-9-20(27)10-12-21/h3-16,23H,1-2H3,(H,30,31,33)
InChIKeyNDQPXLMAPGHANG-UHFFFAOYSA-N
XLogP6.33
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.02
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[1-(4-chlorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-chlorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 3-[1-(4-chlorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide (CID 24937363) is 3-[1-(4-chlorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 3-[1-(4-chlorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 3-[1-(4-chlorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide is CC(C)(C(=O)Nc1nncs1)C(c1ccccc1)c1ccc2c(cnn2-c2ccc(Cl)cc2)c1.
What is the InChIKey of 3-[1-(4-chlorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is NDQPXLMAPGHANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClN5OS/c1-26(2,24(33)30-25-31-28-16-34-25)23(17-6-4-3-5-7-17)18-8-13-22-19(14-18)15-29-32(22)21-11-9-20(27)10-12-21/h3-16,23H,1-2H3,(H,30,31,33).
What are the key properties of 3-[1-(4-chlorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide?
3-[1-(4-chlorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 488.02 g/mol, XLogP of 6.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-chlorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 24937363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).